From 7d3650e39496d9a9f73e4f39b42a9c9acab95401 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 9 Sep 2024 16:08:20 +0200 Subject: [PATCH 01/70] Replace local spades modules with official nf-core version (missing fix CPU trick) --- conf/base.config | 174 +++-- conf/modules.config | 644 ++++-------------- modules.json | 5 + modules/local/spades.nf | 51 -- modules/local/spadeshybrid.nf | 49 -- modules/nf-core/spades/environment.yml | 5 + modules/nf-core/spades/main.nf | 98 +++ modules/nf-core/spades/meta.yml | 99 +++ modules/nf-core/spades/tests/main.nf.test | 228 +++++++ .../nf-core/spades/tests/main.nf.test.snap | 403 +++++++++++ modules/nf-core/spades/tests/nextflow.config | 5 + modules/nf-core/spades/tests/tags.yml | 2 + workflows/mag.nf | 18 +- 13 files changed, 1056 insertions(+), 725 deletions(-) delete mode 100644 modules/local/spades.nf delete mode 100644 modules/local/spadeshybrid.nf create mode 100644 modules/nf-core/spades/environment.yml create mode 100644 modules/nf-core/spades/main.nf create mode 100644 modules/nf-core/spades/meta.yml create mode 100644 modules/nf-core/spades/tests/main.nf.test create mode 100644 modules/nf-core/spades/tests/main.nf.test.snap create mode 100644 modules/nf-core/spades/tests/nextflow.config create mode 100644 modules/nf-core/spades/tests/tags.yml diff --git a/conf/base.config b/conf/base.config index 2928a99b..7c168c12 100644 --- a/conf/base.config +++ b/conf/base.config @@ -10,9 +10,9 @@ process { - cpus = { check_max( 1 * task.attempt, 'cpus' ) } - memory = { check_max( 7.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + cpus = { check_max(1 * task.attempt, 'cpus') } + memory = { check_max(7.GB * task.attempt, 'memory') } + time = { check_max(4.h * task.attempt, 'time') } errorStrategy = { task.exitStatus in ((130..145) + 104) ? 'retry' : 'finish' } maxRetries = 3 @@ -24,150 +24,148 @@ process { // If possible, it would be nice to keep the same label naming convention when // adding in your local modules too. // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors - withLabel:process_single { - cpus = { check_max( 1 , 'cpus' ) } - memory = { check_max( 6.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + withLabel: process_single { + cpus = { check_max(1, 'cpus') } + memory = { check_max(6.GB * task.attempt, 'memory') } + time = { check_max(4.h * task.attempt, 'time') } } - withLabel:process_low { - cpus = { check_max( 2 * task.attempt, 'cpus' ) } - memory = { check_max( 12.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + withLabel: process_low { + cpus = { check_max(2 * task.attempt, 'cpus') } + memory = { check_max(12.GB * task.attempt, 'memory') } + time = { check_max(4.h * task.attempt, 'time') } } - withLabel:process_medium { - cpus = { check_max( 6 * task.attempt, 'cpus' ) } - memory = { check_max( 36.GB * task.attempt, 'memory' ) } - time = { check_max( 8.h * task.attempt, 'time' ) } + withLabel: process_medium { + cpus = { check_max(6 * task.attempt, 'cpus') } + memory = { check_max(36.GB * task.attempt, 'memory') } + time = { check_max(8.h * task.attempt, 'time') } } - withLabel:process_high { - cpus = { check_max( 12 * task.attempt, 'cpus' ) } - memory = { check_max( 72.GB * task.attempt, 'memory' ) } - time = { check_max( 16.h * task.attempt, 'time' ) } + withLabel: process_high { + cpus = { check_max(12 * task.attempt, 'cpus') } + memory = { check_max(72.GB * task.attempt, 'memory') } + time = { check_max(16.h * task.attempt, 'time') } } - withLabel:process_long { - time = { check_max( 20.h * task.attempt, 'time' ) } + withLabel: process_long { + time = { check_max(20.h * task.attempt, 'time') } } - withLabel:process_high_memory { - memory = { check_max( 200.GB * task.attempt, 'memory' ) } + withLabel: process_high_memory { + memory = { check_max(200.GB * task.attempt, 'memory') } } - withLabel:error_ignore { + withLabel: error_ignore { errorStrategy = 'ignore' } - withLabel:error_retry { + withLabel: error_retry { errorStrategy = 'retry' maxRetries = 2 } withName: BOWTIE2_HOST_REMOVAL_BUILD { - cpus = { check_max (10 * task.attempt, 'cpus' ) } - memory = { check_max (20.GB * task.attempt, 'memory' ) } - time = { check_max (4.h * task.attempt, 'time' ) } + cpus = { check_max(10 * task.attempt, 'cpus') } + memory = { check_max(20.GB * task.attempt, 'memory') } + time = { check_max(4.h * task.attempt, 'time') } } withName: BOWTIE2_HOST_REMOVAL_ALIGN { - cpus = { check_max (10 * task.attempt, 'cpus' ) } - memory = { check_max (10.GB * task.attempt, 'memory' ) } - time = { check_max (6.h * task.attempt, 'time' ) } + cpus = { check_max(10 * task.attempt, 'cpus') } + memory = { check_max(10.GB * task.attempt, 'memory') } + time = { check_max(6.h * task.attempt, 'time') } } withName: BOWTIE2_PHIX_REMOVAL_ALIGN { - cpus = { check_max (4 * task.attempt, 'cpus' ) } - memory = { check_max (8.GB * task.attempt, 'memory' ) } - time = { check_max (6.h * task.attempt, 'time' ) } + cpus = { check_max(4 * task.attempt, 'cpus') } + memory = { check_max(8.GB * task.attempt, 'memory') } + time = { check_max(6.h * task.attempt, 'time') } } withName: PORECHOP_PORECHOP { - cpus = { check_max (4 * task.attempt, 'cpus' ) } - memory = { check_max (30.GB * task.attempt, 'memory' ) } - time = { check_max (4.h * task.attempt, 'time' ) } + cpus = { check_max(4 * task.attempt, 'cpus') } + memory = { check_max(30.GB * task.attempt, 'memory') } + time = { check_max(4.h * task.attempt, 'time') } } withName: NANOLYSE { - cpus = { check_max (2 * task.attempt, 'cpus' ) } - memory = { check_max (10.GB * task.attempt, 'memory' ) } - time = { check_max (3.h * task.attempt, 'time' ) } + cpus = { check_max(2 * task.attempt, 'cpus') } + memory = { check_max(10.GB * task.attempt, 'memory') } + time = { check_max(3.h * task.attempt, 'time') } } //filtlong: exponential increase of memory and time with attempts withName: FILTLONG { - cpus = { check_max (8 * task.attempt , 'cpus' ) } - memory = { check_max (64.GB * (2**(task.attempt-1)), 'memory' ) } - time = { check_max (24.h * (2**(task.attempt-1)), 'time' ) } + cpus = { check_max(8 * task.attempt, 'cpus') } + memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } + time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } } withName: CENTRIFUGE_CENTRIFUGE { - cpus = { check_max (8 * task.attempt, 'cpus' ) } - memory = { check_max (40.GB * task.attempt, 'memory' ) } - time = { check_max (12.h * task.attempt, 'time' ) } + cpus = { check_max(8 * task.attempt, 'cpus') } + memory = { check_max(40.GB * task.attempt, 'memory') } + time = { check_max(12.h * task.attempt, 'time') } } withName: KRAKEN2 { - cpus = { check_max (8 * task.attempt, 'cpus' ) } - memory = { check_max (40.GB * task.attempt, 'memory' ) } - time = { check_max (12.h * task.attempt, 'time' ) } + cpus = { check_max(8 * task.attempt, 'cpus') } + memory = { check_max(40.GB * task.attempt, 'memory') } + time = { check_max(12.h * task.attempt, 'time') } } withName: KRONA_KTIMPORTTAXONOMY { - cpus = { check_max (8 * task.attempt, 'cpus' ) } - memory = { check_max (20.GB * task.attempt, 'memory' ) } - time = { check_max (12.h * task.attempt, 'time' ) } + cpus = { check_max(8 * task.attempt, 'cpus') } + memory = { check_max(20.GB * task.attempt, 'memory') } + time = { check_max(12.h * task.attempt, 'time') } } withName: CAT_DB_GENERATE { - memory = { check_max (200.GB * task.attempt, 'memory' ) } - time = { check_max (16.h * task.attempt, 'time' ) } + memory = { check_max(200.GB * task.attempt, 'memory') } + time = { check_max(16.h * task.attempt, 'time') } } withName: CAT { - cpus = { check_max (8 * task.attempt, 'cpus' ) } - memory = { check_max (40.GB * task.attempt, 'memory' ) } - time = { check_max (12.h * task.attempt, 'time' ) } + cpus = { check_max(8 * task.attempt, 'cpus') } + memory = { check_max(40.GB * task.attempt, 'memory') } + time = { check_max(12.h * task.attempt, 'time') } } withName: GTDBTK_CLASSIFYWF { - cpus = { check_max (10 * task.attempt, 'cpus' ) } - memory = { check_max (128.GB * task.attempt, 'memory' ) } - time = { check_max (12.h * task.attempt, 'time' ) } + cpus = { check_max(10 * task.attempt, 'cpus') } + memory = { check_max(128.GB * task.attempt, 'memory') } + time = { check_max(12.h * task.attempt, 'time') } } //MEGAHIT returns exit code 250 when running out of memory withName: MEGAHIT { - cpus = { check_megahit_cpus (8, task.attempt ) } - memory = { check_max (40.GB * task.attempt, 'memory' ) } - time = { check_max (16.h * task.attempt, 'time' ) } - errorStrategy = { task.exitStatus in [143,137,104,134,139,250] ? 'retry' : 'finish' } + cpus = { check_megahit_cpus(8, task.attempt) } + memory = { check_max(40.GB * task.attempt, 'memory') } + time = { check_max(16.h * task.attempt, 'time') } + errorStrategy = { task.exitStatus in [143, 137, 104, 134, 139, 250] ? 'retry' : 'finish' } } //SPAdes returns error(1) if it runs out of memory (and for other reasons as well...)! //exponential increase of memory and time with attempts, keep number of threads to enable reproducibility - withName: SPADES { - cpus = { check_spades_cpus (10, task.attempt) } - memory = { check_max (64.GB * (2**(task.attempt-1)), 'memory' ) } - time = { check_max (24.h * (2**(task.attempt-1)), 'time' ) } - errorStrategy = { task.exitStatus in [143,137,21,1] ? 'retry' : 'finish' } + withName: METASPADES { + cpus = { check_spades_cpus(10, task.attempt) } + memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } + time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } + errorStrategy = { task.exitStatus in [143, 137, 21, 1] ? 'retry' : 'finish' } maxRetries = 5 } - withName: SPADESHYBRID { - cpus = { check_spadeshybrid_cpus (10, task.attempt) } - memory = { check_max (64.GB * (2**(task.attempt-1)), 'memory' ) } - time = { check_max (24.h * (2**(task.attempt-1)), 'time' ) } - errorStrategy = { task.exitStatus in [143,137,21,1] ? 'retry' : 'finish' } + withName: METASPADESHYBRID { + cpus = { check_spadeshybrid_cpus(10, task.attempt) } + memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } + time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } + errorStrategy = { task.exitStatus in [143, 137, 21, 1] ? 'retry' : 'finish' } maxRetries = 5 } //returns exit code 247 when running out of memory withName: BOWTIE2_ASSEMBLY_ALIGN { - cpus = { check_max (2 * task.attempt, 'cpus' ) } - memory = { check_max (8.GB * task.attempt, 'memory' ) } - time = { check_max (8.h * task.attempt, 'time' ) } - errorStrategy = { task.exitStatus in [143,137,104,134,139,247] ? 'retry' : 'finish' } + cpus = { check_max(2 * task.attempt, 'cpus') } + memory = { check_max(8.GB * task.attempt, 'memory') } + time = { check_max(8.h * task.attempt, 'time') } + errorStrategy = { task.exitStatus in [143, 137, 104, 134, 139, 247] ? 'retry' : 'finish' } } withName: METABAT2_METABAT2 { - cpus = { check_max (8 * task.attempt, 'cpus' ) } - memory = { check_max (20.GB * task.attempt, 'memory' ) } - time = { check_max (8.h * task.attempt, 'time' ) } + cpus = { check_max(8 * task.attempt, 'cpus') } + memory = { check_max(20.GB * task.attempt, 'memory') } + time = { check_max(8.h * task.attempt, 'time') } } withName: MAG_DEPTHS { - memory = { check_max (16.GB * task.attempt, 'memory' ) } + memory = { check_max(16.GB * task.attempt, 'memory') } } withName: BUSCO { - cpus = { check_max (8 * task.attempt, 'cpus' ) } - memory = { check_max (20.GB * task.attempt, 'memory' ) } + cpus = { check_max(8 * task.attempt, 'cpus') } + memory = { check_max(20.GB * task.attempt, 'memory') } } withName: MAXBIN2 { - // often fails when insufficient information, so we allow it to gracefully fail without failing the pipeline - errorStrategy = { task.exitStatus in [ 1, 255 ] ? 'ignore' : 'retry' } + errorStrategy = { task.exitStatus in [1, 255] ? 'ignore' : 'retry' } } withName: DASTOOL_DASTOOL { - // if SCGs not found, bins cannot be assigned and DAS_tool will die with exit status 1 - errorStrategy = { task.exitStatus in [143,137,104,134,139] ? 'retry' : task.exitStatus == 1 ? 'ignore' : 'finish' } + errorStrategy = { task.exitStatus in [143, 137, 104, 134, 139] ? 'retry' : task.exitStatus == 1 ? 'ignore' : 'finish' } } } diff --git a/conf/modules.config b/conf/modules.config index 81df5bc8..09a8d5f3 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -13,674 +13,302 @@ process { //default: do not publish into the results folder - publishDir = [ - path: { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, - enabled: false - ] + publishDir = [path: { "${params.outdir}/${task.process.tokenize(':')[-1].tokenize('_')[0].toLowerCase()}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: false] withName: FASTQC_RAW { - ext.args = '--quiet' - publishDir = [ - path: { "${params.outdir}/QC_shortreads/fastqc" }, - mode: params.publish_dir_mode, - pattern: "*.html" - ] + ext.args = '--quiet' + publishDir = [path: { "${params.outdir}/QC_shortreads/fastqc" }, mode: params.publish_dir_mode, pattern: "*.html"] ext.prefix = { "${meta.id}_run${meta.run}_raw" } - tag = { "${meta.id}_run${meta.run}_raw" } + tag = { "${meta.id}_run${meta.run}_raw" } } withName: FASTP { - ext.args = [ - "-q ${params.fastp_qualified_quality}", - "--cut_front", - "--cut_tail", - "--cut_mean_quality ${params.fastp_cut_mean_quality}", - "--length_required ${params.reads_minlength}" - ].join(' ').trim() - publishDir = [ - [ - path: { "${params.outdir}/QC_shortreads/fastp/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{html,json}" - ], - [ - path: { "${params.outdir}/QC_shortreads/fastp/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.fastq.gz", - enabled: params.save_clipped_reads - ] - ] + ext.args = ["-q ${params.fastp_qualified_quality}", "--cut_front", "--cut_tail", "--cut_mean_quality ${params.fastp_cut_mean_quality}", "--length_required ${params.reads_minlength}"].join(' ').trim() + publishDir = [[path: { "${params.outdir}/QC_shortreads/fastp/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{html,json}"], [path: { "${params.outdir}/QC_shortreads/fastp/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.fastq.gz", enabled: params.save_clipped_reads]] ext.prefix = { "${meta.id}_run${meta.run}_fastp" } - tag = { "${meta.id}_run${meta.run}" } + tag = { "${meta.id}_run${meta.run}" } } withName: ADAPTERREMOVAL_PE { - ext.args = [ - "--minlength ${params.reads_minlength}", - "--adapter1 ${params.adapterremoval_adapter1} --adapter2 ${params.adapterremoval_adapter2}", - "--minquality ${params.adapterremoval_minquality} --trimns", - params.adapterremoval_trim_quality_stretch ? "--trim_qualities" : "--trimwindows 4" - ].join(' ').trim() - publishDir = [ - [ - path: { "${params.outdir}/QC_shortreads/adapterremoval/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{settings}" - ], - [ - path: { "${params.outdir}/QC_shortreads/adapterremoval/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{truncated,discarded}.gz", - enabled: params.save_clipped_reads - ] - ] + ext.args = ["--minlength ${params.reads_minlength}", "--adapter1 ${params.adapterremoval_adapter1} --adapter2 ${params.adapterremoval_adapter2}", "--minquality ${params.adapterremoval_minquality} --trimns", params.adapterremoval_trim_quality_stretch ? "--trim_qualities" : "--trimwindows 4"].join(' ').trim() + publishDir = [[path: { "${params.outdir}/QC_shortreads/adapterremoval/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{settings}"], [path: { "${params.outdir}/QC_shortreads/adapterremoval/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{truncated,discarded}.gz", enabled: params.save_clipped_reads]] ext.prefix = { "${meta.id}_run${meta.run}_ar2" } - tag = { "${meta.id}_run${meta.run}" } + tag = { "${meta.id}_run${meta.run}" } } withName: ADAPTERREMOVAL_SE { - ext.args = [ - "--minlength ${params.reads_minlength}", - "--adapter1 ${params.adapterremoval_adapter1}", - "--minquality ${params.adapterremoval_minquality} --trimns", - params.adapterremoval_trim_quality_stretch ? "--trim_qualities" : "--trimwindows 4" - ].join(' ').trim() - publishDir = [ - path: { "${params.outdir}/QC_shortreads/adapterremoval/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{settings}" - ] + ext.args = ["--minlength ${params.reads_minlength}", "--adapter1 ${params.adapterremoval_adapter1}", "--minquality ${params.adapterremoval_minquality} --trimns", params.adapterremoval_trim_quality_stretch ? "--trim_qualities" : "--trimwindows 4"].join(' ').trim() + publishDir = [path: { "${params.outdir}/QC_shortreads/adapterremoval/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{settings}"] ext.prefix = { "${meta.id}_run${meta.run}_ar2" } - tag = { "${meta.id}_run${meta.run}" } + tag = { "${meta.id}_run${meta.run}" } } withName: BOWTIE2_PHIX_REMOVAL_ALIGN { ext.prefix = { "${meta.id}_run${meta.run}_phix_removed" } - publishDir = [ - [ - path: { "${params.outdir}/QC_shortreads/remove_phix" }, - mode: params.publish_dir_mode, - pattern: "*.log" - ], - [ - path: { "${params.outdir}/QC_shortreads/remove_phix" }, - mode: params.publish_dir_mode, - pattern: "*.unmapped*.fastq.gz", - enabled: params.save_phixremoved_reads - ] - ] - tag = { "${meta.id}_run${meta.run}" } + publishDir = [[path: { "${params.outdir}/QC_shortreads/remove_phix" }, mode: params.publish_dir_mode, pattern: "*.log"], [path: { "${params.outdir}/QC_shortreads/remove_phix" }, mode: params.publish_dir_mode, pattern: "*.unmapped*.fastq.gz", enabled: params.save_phixremoved_reads]] + tag = { "${meta.id}_run${meta.run}" } } withName: BOWTIE2_HOST_REMOVAL_ALIGN { - ext.args = params.host_removal_verysensitive ? "--very-sensitive" : "--sensitive" - ext.args2 = params.host_removal_save_ids ? "--host_removal_save_ids" : '' + ext.args = params.host_removal_verysensitive ? "--very-sensitive" : "--sensitive" + ext.args2 = params.host_removal_save_ids ? "--host_removal_save_ids" : '' ext.prefix = { "${meta.id}_run${meta.run}_host_removed" } - publishDir = [ - [ - path: { "${params.outdir}/QC_shortreads/remove_host" }, - mode: params.publish_dir_mode, - pattern: "*{.log,read_ids.txt}" - ], - [ - path: { "${params.outdir}/QC_shortreads/remove_host" }, - mode: params.publish_dir_mode, - pattern: "*.unmapped*.fastq.gz", - enabled: params.save_hostremoved_reads - ] - ] - tag = { "${meta.id}_run${meta.run}" } + publishDir = [[path: { "${params.outdir}/QC_shortreads/remove_host" }, mode: params.publish_dir_mode, pattern: "*{.log,read_ids.txt}"], [path: { "${params.outdir}/QC_shortreads/remove_host" }, mode: params.publish_dir_mode, pattern: "*.unmapped*.fastq.gz", enabled: params.save_hostremoved_reads]] + tag = { "${meta.id}_run${meta.run}" } } withName: FASTQC_TRIMMED { - ext.args = '--quiet' + ext.args = '--quiet' ext.prefix = { "${meta.id}_run${meta.run}_trimmed" } - publishDir = [ - path: { "${params.outdir}/QC_shortreads/fastqc" }, - mode: params.publish_dir_mode, - pattern: "*.html" - ] - tag = { "${meta.id}_run${meta.run}" } + publishDir = [path: { "${params.outdir}/QC_shortreads/fastqc" }, mode: params.publish_dir_mode, pattern: "*.html"] + tag = { "${meta.id}_run${meta.run}" } } withName: BBMAP_BBNORM { - ext.args = [ - params.bbnorm_target ? "target=${params.bbnorm_target}" : '', - params.bbnorm_min ? "min=${params.bbnorm_min}" : '', - ].join(' ').trim() - publishDir = [ - [ - path : { "${params.outdir}/bbmap/bbnorm/logs" }, - enabled: params.save_bbnorm_reads, - mode : params.publish_dir_mode, - pattern: "*.log" - ], - [ - path : { "${params.outdir}/bbmap/bbnorm/"}, - mode : 'copy', - enabled: params.save_bbnorm_reads, - mode : params.publish_dir_mode, - pattern: "*.fastq.gz" - ] - ] + ext.args = [params.bbnorm_target ? "target=${params.bbnorm_target}" : '', params.bbnorm_min ? "min=${params.bbnorm_min}" : ''].join(' ').trim() + publishDir = [[path: { "${params.outdir}/bbmap/bbnorm/logs" }, enabled: params.save_bbnorm_reads, mode: params.publish_dir_mode, pattern: "*.log"], [path: { "${params.outdir}/bbmap/bbnorm/" }, mode: 'copy', enabled: params.save_bbnorm_reads, mode: params.publish_dir_mode, pattern: "*.fastq.gz"]] } withName: PORECHOP_PORECHOP { - publishDir = [ - path: { "${params.outdir}/QC_longreads/porechop" }, - mode: params.publish_dir_mode, - pattern: "*_trimmed.fastq", - enabled: params.save_porechop_reads - ] + publishDir = [path: { "${params.outdir}/QC_longreads/porechop" }, mode: params.publish_dir_mode, pattern: "*_trimmed.fastq", enabled: params.save_porechop_reads] ext.prefix = { "${meta.id}_run${meta.run}_trimmed" } } withName: FILTLONG { - publishDir = [ - path: { "${params.outdir}/QC_longreads/Filtlong" }, - mode: params.publish_dir_mode, - pattern: "*_lr_filtlong.fastq.gz", - enabled: params.save_filtlong_reads - ] + publishDir = [path: { "${params.outdir}/QC_longreads/Filtlong" }, mode: params.publish_dir_mode, pattern: "*_lr_filtlong.fastq.gz", enabled: params.save_filtlong_reads] ext.prefix = { "${meta.id}_run${meta.run}_lengthfiltered" } } withName: NANOLYSE { - publishDir = [ - [ - path: { "${params.outdir}/QC_longreads/NanoLyse" }, - mode: params.publish_dir_mode, - pattern: "*.log" - ], - [ - path: { "${params.outdir}/QC_longreads/NanoLyse" }, - mode: params.publish_dir_mode, - pattern: "*_nanolyse.fastq.gz", - enabled: params.save_lambdaremoved_reads - ] - ] + publishDir = [[path: { "${params.outdir}/QC_longreads/NanoLyse" }, mode: params.publish_dir_mode, pattern: "*.log"], [path: { "${params.outdir}/QC_longreads/NanoLyse" }, mode: params.publish_dir_mode, pattern: "*_nanolyse.fastq.gz", enabled: params.save_lambdaremoved_reads]] ext.prefix = { "${meta.id}_run${meta.run}_lambdafiltered" } } withName: NANOPLOT_RAW { ext.prefix = 'raw' - ext.args = { [ - "-p raw_", - "--title ${meta.id}_raw", - "-c darkblue", - ].join(' ').trim() } - publishDir = [ - path: { "${params.outdir}/QC_longreads/NanoPlot/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{png,html,txt}" - ] + ext.args = { ["-p raw_", "--title ${meta.id}_raw", "-c darkblue"].join(' ').trim() } + publishDir = [path: { "${params.outdir}/QC_longreads/NanoPlot/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{png,html,txt}"] } withName: NANOPLOT_FILTERED { - ext.args = { [ - "-p filtered_", - "--title ${meta.id}_filtered", - "-c darkblue", - ].join(' ').trim() } - publishDir = [ - path: { "${params.outdir}/QC_longreads/NanoPlot/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{png,html,txt}" - ] + ext.args = { ["-p filtered_", "--title ${meta.id}_filtered", "-c darkblue"].join(' ').trim() } + publishDir = [path: { "${params.outdir}/QC_longreads/NanoPlot/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{png,html,txt}"] } withName: CENTRIFUGE_CENTRIFUGE { - publishDir = [ - path: { "${params.outdir}/Taxonomy/centrifuge/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.txt" - ] + publishDir = [path: { "${params.outdir}/Taxonomy/centrifuge/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.txt"] } withName: CENTRIFUGE_KREPORT { ext.prefix = { "${meta.id}_kreport" } - publishDir = [ - path: { "${params.outdir}/Taxonomy/centrifuge/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.txt" - ] + publishDir = [path: { "${params.outdir}/Taxonomy/centrifuge/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.txt"] } withName: KRAKEN2 { - ext.args = '--quiet' - publishDir = [ - path: { "${params.outdir}/Taxonomy/kraken2/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.txt" - ] + ext.args = '--quiet' + publishDir = [path: { "${params.outdir}/Taxonomy/kraken2/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.txt"] } withName: KREPORT2KRONA_CENTRIFUGE { - publishDir = [ - path: { "${params.outdir}/Taxonomy/${meta.classifier}/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.txt", - enabled: false - ] + publishDir = [path: { "${params.outdir}/Taxonomy/${meta.classifier}/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.txt", enabled: false] } withName: KRONA_KTIMPORTTAXONOMY { - publishDir = [ - path: { "${params.outdir}/Taxonomy/${meta.classifier}/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.html" - ] + publishDir = [path: { "${params.outdir}/Taxonomy/${meta.classifier}/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.html"] } //pattern: "*.{fa.gz,log}" //'pattern' didnt work, probably because the output is in a folder, solved with 'saveAs' withName: MEGAHIT { - ext.args = params.megahit_options ?: '' - publishDir = [ - path: { "${params.outdir}/Assembly" }, - mode: params.publish_dir_mode, - saveAs: { - filename -> filename.equals('versions.yml') ? null : - filename.indexOf('.contigs.fa.gz') > 0 ? filename : - filename.indexOf('.log') > 0 ? filename : null } - ] - } - - withName: SPADES { - ext.args = params.spades_options ?: '' - publishDir = [ - path: { "${params.outdir}/Assembly/SPAdes" }, - mode: params.publish_dir_mode, - pattern: "*.{fasta.gz,gfa.gz,log}" - ] - } - - withName: SPADESHYBRID { - ext.args = params.spades_options ?: '' - publishDir = [ - path: { "${params.outdir}/Assembly/SPAdesHybrid" }, - mode: params.publish_dir_mode, - pattern: "*.{fasta.gz,gfa.gz,log}" - ] + ext.args = params.megahit_options ?: '' + publishDir = [path: { "${params.outdir}/Assembly" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename.indexOf('.contigs.fa.gz') > 0 ? filename : filename.indexOf('.log') > 0 ? filename : null }] + } + + withName: METASPADES { + ext.args = params.spades_options ?: '' + ext.prefix = { "SPAdes-${meta.id}" } + publishDir = [path: { "${params.outdir}/Assembly/SPAdes" }, mode: params.publish_dir_mode, pattern: "*.{fasta.gz,gfa.gz,fa.gz,log}"] + } + + withName: METASPADESHYBRID { + ext.args = params.spades_options ?: '' + ext.prefix = { "SPAdesHybrid-${meta.id}" } + publishDir = [path: { "${params.outdir}/Assembly/SPAdesHybrid" }, mode: params.publish_dir_mode, pattern: "*.{fasta.gz,gfa.gz,fa.gz,log}"] } withName: QUAST { - publishDir = [ - path: { "${params.outdir}/Assembly/${meta.assembler}/QC/${meta.id}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/Assembly/${meta.assembler}/QC/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: GENOMAD_ENDTOEND { - ext.args = [ - "--cleanup", - "--min-score ${params.genomad_min_score}", - "--splits ${params.genomad_splits}", - ].join(' ').trim() - publishDir = [ - path: { "${params.outdir}/VirusIdentification/geNomad/${meta.id}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + ext.args = ["--cleanup", "--min-score ${params.genomad_min_score}", "--splits ${params.genomad_splits}"].join(' ').trim() + publishDir = [path: { "${params.outdir}/VirusIdentification/geNomad/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: BOWTIE2_ASSEMBLY_ALIGN { - ext.args = params.bowtie2_mode ? params.bowtie2_mode : params.ancient_dna ? '--very-sensitive -N 1' : '' + ext.args = params.bowtie2_mode ? params.bowtie2_mode : params.ancient_dna ? '--very-sensitive -N 1' : '' ext.prefix = { "${meta.id}.assembly" } - publishDir = [ - [ - path: { "${params.outdir}/Assembly/${assembly_meta.assembler}/QC/${assembly_meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.log" - ], - [ - path: { "${params.outdir}/Assembly/${assembly_meta.assembler}/QC/${assembly_meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{bam,bai}", - enabled: params.save_assembly_mapped_reads - ], - ] + publishDir = [[path: { "${params.outdir}/Assembly/${assembly_meta.assembler}/QC/${assembly_meta.id}" }, mode: params.publish_dir_mode, pattern: "*.log"], [path: { "${params.outdir}/Assembly/${assembly_meta.assembler}/QC/${assembly_meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{bam,bai}", enabled: params.save_assembly_mapped_reads]] } withName: 'MAG_DEPTHS_PLOT|MAG_DEPTHS_SUMMARY' { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/depths/bins" }, - mode: params.publish_dir_mode, - pattern: "*.{png,tsv}" - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/depths/bins" }, mode: params.publish_dir_mode, pattern: "*.{png,tsv}"] } - withName: 'BIN_SUMMARY' { - publishDir = [ - path: { "${params.outdir}/GenomeBinning" }, - mode: params.publish_dir_mode, - pattern: "*.{png,tsv}" - ] + withName: BIN_SUMMARY { + publishDir = [path: { "${params.outdir}/GenomeBinning" }, mode: params.publish_dir_mode, pattern: "*.{png,tsv}"] } withName: BUSCO_DB_PREPARATION { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/BUSCO" }, - mode: params.publish_dir_mode, - pattern: "*.tar.gz" - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/BUSCO" }, mode: params.publish_dir_mode, pattern: "*.tar.gz"] } - withName: 'BUSCO' { - ext.args = [ - params.busco_db ? '--offline' : '' - ].join(' ').trim() - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/BUSCO" }, - mode: params.publish_dir_mode, - pattern: "*.{log,err,faa.gz,fna.gz,gff,txt}" - ] + withName: BUSCO { + ext.args = [params.busco_db ? '--offline' : ''].join(' ').trim() + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/BUSCO" }, mode: params.publish_dir_mode, pattern: "*.{log,err,faa.gz,fna.gz,gff,txt}"] } withName: BUSCO_SAVE_DOWNLOAD { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/BUSCO" }, - mode: params.publish_dir_mode, - overwrite: false, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/BUSCO" }, mode: params.publish_dir_mode, overwrite: false, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: 'BUSCO_SUMMARY|QUAST_BINS|QUAST_BINS_SUMMARY' { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: ARIA2_UNTAR { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/CheckM/checkm_downloads" }, - mode: params.publish_dir_mode, - overwrite: false, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, - enabled: params.save_checkm_data - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/CheckM/checkm_downloads" }, mode: params.publish_dir_mode, overwrite: false, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.save_checkm_data] } - withName: 'CHECKM_LINEAGEWF' { - tag = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}" } + withName: CHECKM_LINEAGEWF { + tag = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}" } ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}_wf" } - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - withName: 'CHECKM_QA' { + withName: CHECKM_QA { ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}_qa" } - ext.args = "-o 2 --tab_table" - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + ext.args = "-o 2 --tab_table" + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/CheckM" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - withName: 'COMBINE_CHECKM_TSV' { + withName: COMBINE_CHECKM_TSV { ext.prefix = { "checkm_summary" } - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/QC" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - withName: 'GUNC_DOWNLOADDB' { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/GUNC" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, - enabled: params.gunc_save_db - ] + withName: GUNC_DOWNLOADDB { + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/GUNC" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.gunc_save_db] } // Make sure to keep directory in sync with gunc_qc.nf - withName: 'GUNC_RUN' { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/GUNC/raw/${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}/${fasta.baseName}/" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + withName: GUNC_RUN { + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/GUNC/raw/${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}/${fasta.baseName}/" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } // Make sure to keep directory in sync with gunc_qc.nf - withName: 'GUNC_MERGECHECKM' { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/QC/GUNC/checkmmerged/${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}/${checkm_file.baseName}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + withName: GUNC_MERGECHECKM { + publishDir = [path: { "${params.outdir}/GenomeBinning/QC/GUNC/checkmmerged/${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}/${checkm_file.baseName}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: CAT_DB_GENERATE { - publishDir = [ - path: { "${params.outdir}/Taxonomy/CAT" }, - mode: params.publish_dir_mode, - pattern: "*.tar.gz" - ] + publishDir = [path: { "${params.outdir}/Taxonomy/CAT" }, mode: params.publish_dir_mode, pattern: "*.tar.gz"] } withName: CAT { - publishDir = [ - path: { "${params.outdir}/Taxonomy/CAT/${meta.assembler}/${meta.binner}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/Taxonomy/CAT/${meta.assembler}/${meta.binner}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: CAT_SUMMARY { ext.prefix = "cat_summary" - publishDir = [ - path: { "${params.outdir}/Taxonomy/CAT/" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/Taxonomy/CAT/" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: GTDBTK_CLASSIFYWF { ext.args = "--extension fa" ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.domain}-${meta.refinement}-${meta.id}" } - publishDir = [ - path: { "${params.outdir}/Taxonomy/GTDB-Tk/${meta.assembler}/${meta.binner}/${meta.id}" }, - mode: params.publish_dir_mode, - pattern: "*.{log,tasv,tree.gz,fasta,fasta.gz}" - ] + publishDir = [path: { "${params.outdir}/Taxonomy/GTDB-Tk/${meta.assembler}/${meta.binner}/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.{log,tasv,tree.gz,fasta,fasta.gz}"] } withName: GTDBTK_SUMMARY { ext.args = "--extension fa" - publishDir = [ - path: { "${params.outdir}/Taxonomy/GTDB-Tk" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/Taxonomy/GTDB-Tk" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: PROKKA { ext.args = "--metagenome" - publishDir = [ - path: { "${params.outdir}/Annotation/Prokka/${meta.assembler}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/Annotation/Prokka/${meta.assembler}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: PRODIGAL { ext.args = "-p meta" - publishDir = [ - path: { "${params.outdir}/Annotation/Prodigal/${meta.assembler}/${meta.id}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/Annotation/Prodigal/${meta.assembler}/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } withName: FREEBAYES { ext.prefix = { "${meta.assembler}-${meta.id}" } ext.args = "-p ${params.freebayes_ploidy} -q ${params.freebayes_min_basequality} -F ${params.freebayes_minallelefreq}" - publishDir = [ - path: { "${params.outdir}/Ancient_DNA/variant_calling/freebayes" }, - mode: params.publish_dir_mode, - pattern: "*.vcf.gz" - ] + publishDir = [path: { "${params.outdir}/Ancient_DNA/variant_calling/freebayes" }, mode: params.publish_dir_mode, pattern: "*.vcf.gz"] } withName: BCFTOOLS_VIEW { ext.prefix = { "${meta.assembler}-${meta.id}.filtered" } ext.args = "-v snps,mnps -i 'QUAL>=${params.bcftools_view_high_variant_quality} || (QUAL>=${params.bcftools_view_medium_variant_quality} && FORMAT/AO>=${params.bcftools_view_minimal_allelesupport})'" - publishDir = [ - path: { "${params.outdir}/Ancient_DNA/variant_calling/filtered" }, - mode: params.publish_dir_mode, - pattern: "*.vcf.gz" - ] + publishDir = [path: { "${params.outdir}/Ancient_DNA/variant_calling/filtered" }, mode: params.publish_dir_mode, pattern: "*.vcf.gz"] } withName: BCFTOOLS_CONSENSUS { ext.prefix = { "${meta.assembler}-${meta.id}" } - publishDir = [ - path: {"${params.outdir}/Ancient_DNA/variant_calling/consensus" }, - mode: params.publish_dir_mode, - pattern: "*.fa" - ] + publishDir = [path: { "${params.outdir}/Ancient_DNA/variant_calling/consensus" }, mode: params.publish_dir_mode, pattern: "*.fa"] } withName: BCFTOOLS_INDEX { ext.prefix = { "${meta.assembler}-${meta.id}" } ext.args = "-t" - publishDir = [ - path: {"${params.outdir}/Ancient_DNA/variant_calling/index" }, - mode: params.publish_dir_mode, - enabled: false - ] + publishDir = [path: { "${params.outdir}/Ancient_DNA/variant_calling/index" }, mode: params.publish_dir_mode, enabled: false] } withName: PYDAMAGE_ANALYZE { ext.prefix = { "${meta.assembler}-${meta.id}" } - publishDir = [ - path: {"${params.outdir}/Ancient_DNA/pydamage/analyze/${meta.assembler}-${meta.id}/" }, - mode: params.publish_dir_mode - ] + publishDir = [path: { "${params.outdir}/Ancient_DNA/pydamage/analyze/${meta.assembler}-${meta.id}/" }, mode: params.publish_dir_mode] } withName: PYDAMAGE_FILTER { ext.prefix = { "${meta.assembler}-${meta.id}" } ext.args = "-t ${params.pydamage_accuracy}" - publishDir = [ - path: {"${params.outdir}/Ancient_DNA/pydamage/filter/${meta.assembler}-${meta.id}/" }, - mode: params.publish_dir_mode - ] + publishDir = [path: { "${params.outdir}/Ancient_DNA/pydamage/filter/${meta.assembler}-${meta.id}/" }, mode: params.publish_dir_mode] } withName: SAMTOOLS_FAIDX { ext.prefix = { "${meta.assembler}-${meta.id}" } - publishDir = [ - path: {"${params.outdir}/Ancient_DNA/samtools/faidx" }, - mode: params.publish_dir_mode, - enabled: false - ] + publishDir = [path: { "${params.outdir}/Ancient_DNA/samtools/faidx" }, mode: params.publish_dir_mode, enabled: false] } withName: METABAT2_JGISUMMARIZEBAMCONTIGDEPTHS { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/depths/contigs" }, - mode: params.publish_dir_mode, - pattern: '*-depth.txt.gz' - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/depths/contigs" }, mode: params.publish_dir_mode, pattern: '*-depth.txt.gz'] ext.prefix = { "${meta.assembler}-${meta.id}-depth" } } withName: METABAT2_METABAT2 { - publishDir = [ - [ - path: { "${params.outdir}/GenomeBinning/MetaBAT2/bins/" }, - mode: params.publish_dir_mode, - pattern: '*[!lowDepth|tooShort|unbinned].fa.gz' - ], - [ - path: { "${params.outdir}/GenomeBinning/MetaBAT2/discarded" }, - mode: params.publish_dir_mode, - pattern: '*tooShort.fa.gz' - ], - [ - path: { "${params.outdir}/GenomeBinning/MetaBAT2/discarded" }, - mode: params.publish_dir_mode, - pattern: '*lowDepth.fa.gz' - ] - ] + publishDir = [[path: { "${params.outdir}/GenomeBinning/MetaBAT2/bins/" }, mode: params.publish_dir_mode, pattern: '*[!lowDepth|tooShort|unbinned].fa.gz'], [path: { "${params.outdir}/GenomeBinning/MetaBAT2/discarded" }, mode: params.publish_dir_mode, pattern: '*tooShort.fa.gz'], [path: { "${params.outdir}/GenomeBinning/MetaBAT2/discarded" }, mode: params.publish_dir_mode, pattern: '*lowDepth.fa.gz']] ext.prefix = { "${meta.assembler}-MetaBAT2-${meta.id}" } - ext.args = [ - params.min_contig_size < 1500 ? "-m 1500" : "-m ${params.min_contig_size}", - "--unbinned", - "--seed ${params.metabat_rng_seed}" - ].join(' ').trim() + ext.args = [params.min_contig_size < 1500 ? "-m 1500" : "-m ${params.min_contig_size}", "--unbinned", "--seed ${params.metabat_rng_seed}"].join(' ').trim() } withName: MAXBIN2 { - publishDir = [ - [ - path: { "${params.outdir}/GenomeBinning/MaxBin2/discarded" }, - mode: params.publish_dir_mode, - pattern: '*.tooshort.gz' - ], - ] + publishDir = [[path: { "${params.outdir}/GenomeBinning/MaxBin2/discarded" }, mode: params.publish_dir_mode, pattern: '*.tooshort.gz']] ext.prefix = { "${meta.assembler}-MaxBin2-${meta.id}" } - // if no gene found, will crash so allow ignore so rest of pipeline - // completes but without MaxBin2 results } withName: ADJUST_MAXBIN2_EXT { - publishDir = [ - [ - path: { "${params.outdir}/GenomeBinning/MaxBin2/bins/" }, - mode: params.publish_dir_mode, - pattern: '*.fa.gz' - ], - ] - } - - withName: "CONCOCT_.*" { - publishDir = [ - [ - path: { "${params.outdir}/GenomeBinning/CONCOCT/stats/" }, - mode: params.publish_dir_mode, - pattern: "*.{txt,csv,tsv}" - ], - [ - path: { "${params.outdir}/GenomeBinning/CONCOCT/bins" }, - mode: params.publish_dir_mode, - saveAs: { filename -> new File(filename).getName() }, - pattern: "*/*.fa.gz" - ] - ] + publishDir = [[path: { "${params.outdir}/GenomeBinning/MaxBin2/bins/" }, mode: params.publish_dir_mode, pattern: '*.fa.gz']] + } + + withName: 'CONCOCT_.*' { + publishDir = [[path: { "${params.outdir}/GenomeBinning/CONCOCT/stats/" }, mode: params.publish_dir_mode, pattern: "*.{txt,csv,tsv}"], [path: { "${params.outdir}/GenomeBinning/CONCOCT/bins" }, mode: params.publish_dir_mode, saveAs: { filename -> new File(filename).getName() }, pattern: "*/*.fa.gz"]] ext.prefix = { "${meta.assembler}-CONCOCT-${meta.id}" } } withName: SPLIT_FASTA { - publishDir = [ - [ - path: { "${params.outdir}/GenomeBinning/${meta.binner}/unbinned" }, - mode: params.publish_dir_mode, - pattern: '*.*[0-9].fa.gz' - ], - [ - path: { "${params.outdir}/GenomeBinning/${meta.binner}/unbinned/discarded" }, - mode: params.publish_dir_mode, - pattern: '*.pooled.fa.gz' - ], - [ - path: { "${params.outdir}/GenomeBinning/${meta.binner}/unbinned/discarded" }, - mode: params.publish_dir_mode, - pattern: '*.remaining.fa.gz' - ] - ] + publishDir = [[path: { "${params.outdir}/GenomeBinning/${meta.binner}/unbinned" }, mode: params.publish_dir_mode, pattern: '*.*[0-9].fa.gz'], [path: { "${params.outdir}/GenomeBinning/${meta.binner}/unbinned/discarded" }, mode: params.publish_dir_mode, pattern: '*.pooled.fa.gz'], [path: { "${params.outdir}/GenomeBinning/${meta.binner}/unbinned/discarded" }, mode: params.publish_dir_mode, pattern: '*.remaining.fa.gz']] } withName: DASTOOL_FASTATOCONTIG2BIN_METABAT2 { @@ -700,84 +328,44 @@ process { } withName: DASTOOL_DASTOOL { - publishDir = [ - [ - path: { "${params.outdir}/GenomeBinning/DASTool" }, - mode: params.publish_dir_mode, - pattern: '*.{tsv,log,eval,seqlength}' - ], - ] + publishDir = [[path: { "${params.outdir}/GenomeBinning/DASTool" }, mode: params.publish_dir_mode, pattern: '*.{tsv,log,eval,seqlength}']] ext.prefix = { "${meta.assembler}-DASTool-${meta.id}" } - ext.args = "--write_bins --write_unbinned --write_bin_evals --score_threshold ${params.refine_bins_dastool_threshold}" + ext.args = "--write_bins --write_unbinned --write_bin_evals --score_threshold ${params.refine_bins_dastool_threshold}" } withName: RENAME_POSTDASTOOL { - publishDir = [ - [ - path: { "${params.outdir}/GenomeBinning/DASTool/unbinned" }, - mode: params.publish_dir_mode, - pattern: '*-DASToolUnbinned-*.fa' - ], - [ - path: { "${params.outdir}/GenomeBinning/DASTool/bins" }, - mode: params.publish_dir_mode, - // pattern needs to be updated in case of new binning methods - pattern: '*-{MetaBAT2,MaxBin2,CONCOCT}Refined-*.fa' - ] - ] + publishDir = [[path: { "${params.outdir}/GenomeBinning/DASTool/unbinned" }, mode: params.publish_dir_mode, pattern: '*-DASToolUnbinned-*.fa'], [path: { "${params.outdir}/GenomeBinning/DASTool/bins" }, mode: params.publish_dir_mode, pattern: '*-{MetaBAT2,MaxBin2,CONCOCT}Refined-*.fa']] } withName: TIARA_TIARA { - publishDir = [ - path: { "${params.outdir}/Taxonomy/Tiara/" }, - mode: params.publish_dir_mode, - pattern: "*.txt" - ] - ext.args = { "--min_len ${params.tiara_min_length} --probabilities" } + publishDir = [path: { "${params.outdir}/Taxonomy/Tiara/" }, mode: params.publish_dir_mode, pattern: "*.txt"] + ext.args = { "--min_len ${params.tiara_min_length} --probabilities" } ext.prefix = { "${meta.assembler}-${meta.id}.tiara" } } withName: TIARA_CLASSIFY { - ext.args = { "--join_prokaryotes --assembler ${meta.assembler}" } + ext.args = { "--join_prokaryotes --assembler ${meta.assembler}" } ext.prefix = { "${meta.assembler}-${meta.binner}-${meta.bin}-${meta.id}" } } withName: TIARA_SUMMARY { - publishDir = [ - path: { "${params.outdir}/GenomeBinning/Tiara" }, - mode: params.publish_dir_mode, - pattern: "tiara_summary.tsv" - ] + publishDir = [path: { "${params.outdir}/GenomeBinning/Tiara" }, mode: params.publish_dir_mode, pattern: "tiara_summary.tsv"] ext.prefix = "tiara_summary" } withName: MMSEQS_DATABASES { ext.prefix = { "${params.metaeuk_mmseqs_db.replaceAll("/", "-")}" } - publishDir = [ - path: { "${params.outdir}/Annotation/mmseqs_db/" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, - enabled: params.save_mmseqs_db - ] + publishDir = [path: { "${params.outdir}/Annotation/mmseqs_db/" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }, enabled: params.save_mmseqs_db] } withName: METAEUK_EASYPREDICT { ext.args = "" ext.prefix = { "${meta.id}" } - publishDir = [ - path: { "${params.outdir}/Annotation/MetaEuk/${meta.assembler}/${meta.id}" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + publishDir = [path: { "${params.outdir}/Annotation/MetaEuk/${meta.assembler}/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - withName: 'MULTIQC' { - ext.args = { params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' } - publishDir = [ - path: { "${params.outdir}/multiqc" }, - mode: params.publish_dir_mode, - saveAs: { filename -> filename.equals('versions.yml') ? null : filename } - ] + withName: MULTIQC { + ext.args = { params.multiqc_title ? "--title ${params.multiqc_title}" : '' } + publishDir = [path: { "${params.outdir}/multiqc" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } - } diff --git a/modules.json b/modules.json index 0cab4e4e..d2009658 100644 --- a/modules.json +++ b/modules.json @@ -237,6 +237,11 @@ "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, + "spades": { + "branch": "master", + "git_sha": "06c8865e36741e05ad32ef70ab3fac127486af48", + "installed_by": ["modules"] + }, "tiara/tiara": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", diff --git a/modules/local/spades.nf b/modules/local/spades.nf deleted file mode 100644 index 9ef7ec77..00000000 --- a/modules/local/spades.nf +++ /dev/null @@ -1,51 +0,0 @@ -process SPADES { - tag "$meta.id" - - conda "bioconda::spades=3.15.3" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/spades:3.15.3--h95f258a_0' : - 'biocontainers/spades:3.15.3--h95f258a_0' }" - - input: - tuple val(meta), path(reads) - - output: - tuple val(meta), path("SPAdes-${meta.id}_scaffolds.fasta"), emit: assembly - path "SPAdes-${meta.id}.log" , emit: log - path "SPAdes-${meta.id}_contigs.fasta.gz" , emit: contigs_gz - path "SPAdes-${meta.id}_scaffolds.fasta.gz" , emit: assembly_gz - path "SPAdes-${meta.id}_graph.gfa.gz" , emit: graph - path "versions.yml" , emit: versions - - script: - def args = task.ext.args ?: '' - maxmem = task.memory.toGiga() - // The -s option is not supported for metaspades. Each time this is called with `meta.single_end` it's because - // read depth was normalized with BBNorm, which actually outputs pairs, but in an interleaved file. - def readstr = meta.single_end ? "--12 ${reads}" : "-1 ${reads[0]} -2 ${reads[1]}" - - if ( params.spades_fix_cpus == -1 || task.cpus == params.spades_fix_cpus ) - """ - metaspades.py \ - $args \ - --threads "${task.cpus}" \ - --memory $maxmem \ - ${readstr} \ - -o spades - mv spades/assembly_graph_with_scaffolds.gfa SPAdes-${meta.id}_graph.gfa - mv spades/scaffolds.fasta SPAdes-${meta.id}_scaffolds.fasta - mv spades/contigs.fasta SPAdes-${meta.id}_contigs.fasta - mv spades/spades.log SPAdes-${meta.id}.log - gzip "SPAdes-${meta.id}_contigs.fasta" - gzip "SPAdes-${meta.id}_graph.gfa" - gzip -c "SPAdes-${meta.id}_scaffolds.fasta" > "SPAdes-${meta.id}_scaffolds.fasta.gz" - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - python: \$(python --version 2>&1 | sed 's/Python //g') - metaspades: \$(metaspades.py --version | sed "s/SPAdes genome assembler v//; s/ \\[.*//") - END_VERSIONS - """ - else - error "ERROR: '--spades_fix_cpus' was specified, but not succesfully applied. Likely this is caused by changed process properties in a custom config file." -} diff --git a/modules/local/spadeshybrid.nf b/modules/local/spadeshybrid.nf deleted file mode 100644 index 13578a69..00000000 --- a/modules/local/spadeshybrid.nf +++ /dev/null @@ -1,49 +0,0 @@ -process SPADESHYBRID { - tag "$meta.id" - - conda "bioconda::spades=3.15.3" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/spades:3.15.3--h95f258a_0' : - 'biocontainers/spades:3.15.3--h95f258a_0' }" - - input: - tuple val(meta), path(long_reads), path(short_reads) - - output: - tuple val(meta), path("SPAdesHybrid-${meta.id}_scaffolds.fasta"), emit: assembly - path "SPAdesHybrid-${meta.id}.log" , emit: log - path "SPAdesHybrid-${meta.id}_contigs.fasta.gz" , emit: contigs_gz - path "SPAdesHybrid-${meta.id}_scaffolds.fasta.gz" , emit: assembly_gz - path "SPAdesHybrid-${meta.id}_graph.gfa.gz" , emit: graph - path "versions.yml" , emit: versions - - script: - def args = task.ext.args ?: '' - maxmem = task.memory.toGiga() - if ( params.spadeshybrid_fix_cpus == -1 || task.cpus == params.spadeshybrid_fix_cpus ) - """ - metaspades.py \ - $args \ - --threads "${task.cpus}" \ - --memory $maxmem \ - --pe1-1 ${short_reads[0]} \ - --pe1-2 ${short_reads[1]} \ - --nanopore ${long_reads} \ - -o spades - mv spades/assembly_graph_with_scaffolds.gfa SPAdesHybrid-${meta.id}_graph.gfa - mv spades/scaffolds.fasta SPAdesHybrid-${meta.id}_scaffolds.fasta - mv spades/contigs.fasta SPAdesHybrid-${meta.id}_contigs.fasta - mv spades/spades.log SPAdesHybrid-${meta.id}.log - gzip "SPAdesHybrid-${meta.id}_contigs.fasta" - gzip "SPAdesHybrid-${meta.id}_graph.gfa" - gzip -c "SPAdesHybrid-${meta.id}_scaffolds.fasta" > "SPAdesHybrid-${meta.id}_scaffolds.fasta.gz" - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - python: \$(python --version 2>&1 | sed 's/Python //g') - metaspades: \$(metaspades.py --version | sed "s/SPAdes genome assembler v//; s/ \\[.*//") - END_VERSIONS - """ - else - error "ERROR: '--spadeshybrid_fix_cpus' was specified, but not succesfully applied. Likely this is caused by changed process properties in a custom config file." -} diff --git a/modules/nf-core/spades/environment.yml b/modules/nf-core/spades/environment.yml new file mode 100644 index 00000000..8cc5321f --- /dev/null +++ b/modules/nf-core/spades/environment.yml @@ -0,0 +1,5 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::spades=4.0.0 diff --git a/modules/nf-core/spades/main.nf b/modules/nf-core/spades/main.nf new file mode 100644 index 00000000..81b36809 --- /dev/null +++ b/modules/nf-core/spades/main.nf @@ -0,0 +1,98 @@ +process SPADES { + tag "$meta.id" + label 'process_high' + + conda "${moduleDir}/environment.yml" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'https://depot.galaxyproject.org/singularity/spades:4.0.0--h5fb382e_1' : + 'biocontainers/spades:4.0.0--h5fb382e_1' }" + + input: + tuple val(meta), path(illumina), path(pacbio), path(nanopore) + path yml + path hmm + + output: + tuple val(meta), path('*.scaffolds.fa.gz') , optional:true, emit: scaffolds + tuple val(meta), path('*.contigs.fa.gz') , optional:true, emit: contigs + tuple val(meta), path('*.transcripts.fa.gz') , optional:true, emit: transcripts + tuple val(meta), path('*.gene_clusters.fa.gz'), optional:true, emit: gene_clusters + tuple val(meta), path('*.assembly.gfa.gz') , optional:true, emit: gfa + tuple val(meta), path('warnings.log') , optional:true, emit: warnings + tuple val(meta), path('*.spades.log') , emit: log + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: "${meta.id}" + def maxmem = task.memory.toGiga() + def illumina_reads = illumina ? ( meta.single_end ? "-s $illumina" : "-1 ${illumina[0]} -2 ${illumina[1]}" ) : "" + def pacbio_reads = pacbio ? "--pacbio $pacbio" : "" + def nanopore_reads = nanopore ? "--nanopore $nanopore" : "" + def custom_hmms = hmm ? "--custom-hmms $hmm" : "" + def reads = yml ? "--dataset $yml" : "$illumina_reads $pacbio_reads $nanopore_reads" + """ + spades.py \\ + $args \\ + --threads $task.cpus \\ + --memory $maxmem \\ + $custom_hmms \\ + $reads \\ + -o ./ + mv spades.log ${prefix}.spades.log + + if [ -f scaffolds.fasta ]; then + mv scaffolds.fasta ${prefix}.scaffolds.fa + gzip -n ${prefix}.scaffolds.fa + fi + if [ -f contigs.fasta ]; then + mv contigs.fasta ${prefix}.contigs.fa + gzip -n ${prefix}.contigs.fa + fi + if [ -f transcripts.fasta ]; then + mv transcripts.fasta ${prefix}.transcripts.fa + gzip -n ${prefix}.transcripts.fa + fi + if [ -f assembly_graph_with_scaffolds.gfa ]; then + mv assembly_graph_with_scaffolds.gfa ${prefix}.assembly.gfa + gzip -n ${prefix}.assembly.gfa + fi + + if [ -f gene_clusters.fasta ]; then + mv gene_clusters.fasta ${prefix}.gene_clusters.fa + gzip -n ${prefix}.gene_clusters.fa + fi + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + spades: \$(spades.py --version 2>&1 | sed -n 's/^.*SPAdes genome assembler v//p') + END_VERSIONS + """ + + stub: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: "${meta.id}" + def maxmem = task.memory.toGiga() + def illumina_reads = illumina ? ( meta.single_end ? "-s $illumina" : "-1 ${illumina[0]} -2 ${illumina[1]}" ) : "" + def pacbio_reads = pacbio ? "--pacbio $pacbio" : "" + def nanopore_reads = nanopore ? "--nanopore $nanopore" : "" + def custom_hmms = hmm ? "--custom-hmms $hmm" : "" + def reads = yml ? "--dataset $yml" : "$illumina_reads $pacbio_reads $nanopore_reads" + """ + echo "" | gzip > ${prefix}.scaffolds.fa.gz + echo "" | gzip > ${prefix}.contigs.fa.gz + echo "" | gzip > ${prefix}.transcripts.fa.gz + echo "" | gzip > ${prefix}.gene_clusters.fa.gz + echo "" | gzip > ${prefix}.assembly.gfa.gz + touch ${prefix}.spades.log + touch warnings.log + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + spades: \$(spades.py --version 2>&1 | sed -n 's/^.*SPAdes genome assembler v//p') + END_VERSIONS + """ +} diff --git a/modules/nf-core/spades/meta.yml b/modules/nf-core/spades/meta.yml new file mode 100644 index 00000000..986871be --- /dev/null +++ b/modules/nf-core/spades/meta.yml @@ -0,0 +1,99 @@ +name: spades +description: Assembles a small genome (bacterial, fungal, viral) +keywords: + - genome + - assembly + - genome assembler + - small genome + - de novo assembler +tools: + - spades: + description: SPAdes (St. Petersburg genome assembler) is intended for both standard isolates and single-cell MDA bacteria assemblies. + homepage: http://cab.spbu.ru/files/release3.15.0/manual.html + documentation: http://cab.spbu.ru/files/release3.15.0/manual.html + tool_dev_url: https://github.com/ablab/spades + doi: 10.1089/cmb.2012.0021 + licence: ["GPL v2"] +input: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - illumina: + type: file + description: | + List of input FastQ (Illumina or PacBio CCS reads) files + of size 1 and 2 for single-end and paired-end data, + respectively. This input data type is required. + - pacbio: + type: file + description: | + List of input PacBio CLR FastQ files of size 1. + - nanopore: + type: file + description: | + List of input FastQ files of size 1, originating from Oxford Nanopore technology. + - yml: + type: file + description: | + Path to yml file containing read information. + The raw FASTQ files listed in this YAML file MUST be supplied to the respective illumina/pacbio/nanopore input channel(s) _in addition_ to this YML. + File entries in this yml must contain only the file name and no paths. + pattern: "*.{yml,yaml}" + - hmm: + type: file + description: File or directory with amino acid HMMs for Spades HMM-guided mode. +output: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - scaffolds: + type: file + description: | + Fasta file containing scaffolds + pattern: "*.fa.gz" + - contigs: + type: file + description: | + Fasta file containing contigs + pattern: "*.fa.gz" + - transcripts: + type: file + description: | + Fasta file containing transcripts + pattern: "*.fa.gz" + - gene_clusters: + type: file + description: | + Fasta file containing gene_clusters + pattern: "*.fa.gz" + - gfa: + type: file + description: | + gfa file containing assembly + pattern: "*.gfa.gz" + - log: + type: file + description: | + Spades log file + pattern: "*.spades.log" + - log: + type: file + description: | + Spades warning log file + pattern: "*.warning.log" + - versions: + type: file + description: File containing software versions + pattern: "versions.yml" +authors: + - "@JoseEspinosa" + - "@drpatelh" + - "@d4straub" +maintainers: + - "@JoseEspinosa" + - "@drpatelh" + - "@d4straub" diff --git a/modules/nf-core/spades/tests/main.nf.test b/modules/nf-core/spades/tests/main.nf.test new file mode 100644 index 00000000..3a93f486 --- /dev/null +++ b/modules/nf-core/spades/tests/main.nf.test @@ -0,0 +1,228 @@ +nextflow_process { + + name "Test Process SPADES" + script "../main.nf" + process "SPADES" + config "./nextflow.config" + tag "modules" + tag "modules_nfcore" + tag "spades" + + test("sarscov2 - se ") { + + when { + process { + """ + input[0] = [ [ id:'test', single_end:true ], + [ file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_2.fastq.gz", checkIfExists: true) ], + [], + [] + ] + input[1] = [] + input[2] = [] + """ + } + } + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.scaffolds, + process.out.contigs, + process.out.transcripts, + process.out.gene_clusters, + process.out.gfa, + process.out.versions + ).match() }, + { assert path(process.out.log[0][1]).readLines().any { it.contains("SPAdes pipeline finished") } } + ) + } + } + + test("sarscov2 - pe ") { + + when { + process { + """ + input[0] = [ [ id:'test', single_end:false ], // meta map + [ file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_1.fastq.gz", checkIfExists: true), + file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_2.fastq.gz", checkIfExists: true) ], + [], + [] + ] + input [1] = [] + input [2] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.scaffolds, + process.out.contigs, + process.out.transcripts, + process.out.gene_clusters, + process.out.gfa, + process.out.versions + ).match() }, + { assert path(process.out.log[0][1]).readLines().any { it.contains("SPAdes pipeline finished") } }, + { assert file(process.out.warnings[0][1]).find{ file(it).name == "warnings.log"} } + ) + } + + } + // isnt perfect, because CCS reads should rather be used with -s instead of --pacbio + test("sarscov2 - pe - pacbio ") { + when { + process { + """ + input[0] = [ [ id:'test', single_end:false ], // meta map + [ file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_1.fastq.gz", checkIfExists: true), + file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_2.fastq.gz", checkIfExists: true) ], + [], + [ file(params.modules_testdata_base_path + "genomics/sarscov2/nanopore/fastq/test.fastq.gz", checkIfExists: true) ] + ] + input [1] = [] + input [2] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.scaffolds, + process.out.contigs, + process.out.transcripts, + process.out.gene_clusters, + process.out.gfa, + process.out.versions + ).match() }, + { assert path(process.out.log[0][1]).readLines().any { it.contains("SPAdes pipeline finished") } }, + { assert file(process.out.warnings[0][1]).find{ file(it).name == "warnings.log"} } + ) + } + } + + test("sarscov2 - pe - nanopore ") { + + when { + process { + """ + input[0] = [ [ id:'test', single_end:false ], // meta map + [ file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_1.fastq.gz", checkIfExists: true), + file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_2.fastq.gz", checkIfExists: true) ], + [], + [ file(params.modules_testdata_base_path + "genomics/sarscov2/nanopore/fastq/test.fastq.gz", checkIfExists: true) ] + ] + input [1] = [] + input [2] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.scaffolds, + process.out.contigs, + process.out.transcripts, + process.out.gene_clusters, + process.out.gfa, + process.out.versions + ).match() }, + { assert path(process.out.log[0][1]).readLines().any { it.contains("SPAdes pipeline finished") } }, + { assert file(process.out.warnings[0][1]).find{ file(it).name == "warnings.log"} } + ) + } + } + + test("sarscov2 - pe - nanopore - yml ") { + when { + process { + """ + input[0] = [ [ id:'test', single_end:false ], // meta map + [ file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_1.fastq.gz", checkIfExists: true), + file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_2.fastq.gz", checkIfExists: true) ], + [], + [ file(params.modules_testdata_base_path + "genomics/sarscov2/nanopore/fastq/test.fastq.gz", checkIfExists: true) ] + ] + input [1] = file(params.modules_testdata_base_path + "delete_me/spades/spades_input_yml.yml", checkIfExists: true) + input [2] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.scaffolds, + process.out.contigs, + process.out.transcripts, + process.out.gene_clusters, + process.out.gfa, + process.out.versions + ).match() }, + { assert path(process.out.log[0][1]).readLines().any { it.contains("SPAdes pipeline finished") } }, + { assert file(process.out.warnings[0][1]).find{ file(it).name == "warnings.log"} } + ) + } + } + + test("sarscov2 - pe - hmm ") { + when { + process { + """ + input[0] = [ [ id:'test', single_end:false ], // meta map + [ file("https://github.com/nf-core/test-datasets/raw/viralrecon/illumina/sispa/SRR11140744_R1.fastq.gz", checkIfExists: true), + file("https://github.com/nf-core/test-datasets/raw/viralrecon/illumina/sispa/SRR11140744_R2.fastq.gz", checkIfExists: true) ], + [], + [] + ] + input [1] = [] + input [2] = [file(params.modules_testdata_base_path + "/genomics/sarscov2/genome/proteome.hmm.gz", checkIfExists: true)] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.scaffolds, + process.out.contigs, + process.out.transcripts, + process.out.gene_clusters, + process.out.gfa, + process.out.versions + ).match() }, + { assert path(process.out.log[0][1]).readLines().any { it.contains("SPAdes pipeline finished") } } + ) + } + } + + test("sarscov2 - pe - stub ") { + options "-stub" + when { + process { + """ + input[0] = [ [ id:'test', single_end:false ], // meta map + [ file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_1.fastq.gz", checkIfExists: true), + file(params.modules_testdata_base_path + "genomics/sarscov2/illumina/fastq/test_2.fastq.gz", checkIfExists: true) ], + [], + [] + ] + input [1] = [] + input [2] = [] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/nf-core/spades/tests/main.nf.test.snap b/modules/nf-core/spades/tests/main.nf.test.snap new file mode 100644 index 00000000..3f8c7718 --- /dev/null +++ b/modules/nf-core/spades/tests/main.nf.test.snap @@ -0,0 +1,403 @@ +{ + "sarscov2 - pe - nanopore ": { + "content": [ + [ + [ + { + "id": "test", + "single_end": false + }, + "test.scaffolds.fa.gz:md5,7ddaf03740df422a93fcaffbcd7e9679" + ] + ], + [ + [ + { + "id": "test", + "single_end": false + }, + "test.contigs.fa.gz:md5,7ddaf03740df422a93fcaffbcd7e9679" + ] + ], + [ + + ], + [ + + ], + [ + [ + { + "id": "test", + "single_end": false + }, + "test.assembly.gfa.gz:md5,19418df83534fc93543dec4ec9b2ae72" + ] + ], + [ + "versions.yml:md5,990abcdf543421412170e5cf413ec56d" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.2" + }, + "timestamp": "2024-06-07T07:13:08.663068339" + }, + "sarscov2 - pe - hmm ": { + "content": [ + [ + [ + { + "id": "test", + "single_end": false + }, + "test.scaffolds.fa.gz:md5,ce077d5f3380690f8d9a5fe188f82128" + ] + ], + [ + + ], + [ + + ], + [ + + ], + [ + [ + { + "id": "test", + "single_end": false + }, + "test.assembly.gfa.gz:md5,07136eab8e231f095dc5dd62f1b62a91" + ] + ], + [ + "versions.yml:md5,990abcdf543421412170e5cf413ec56d" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.2" + }, + "timestamp": "2024-06-07T08:04:19.650636803" + }, + "sarscov2 - 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pe - stub ": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.scaffolds.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "2": [ + [ + { + "id": "test", + "single_end": false + }, + "test.transcripts.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "3": [ + [ + { + "id": "test", + "single_end": false + }, + "test.gene_clusters.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "4": [ + [ + { + "id": "test", + "single_end": false + }, + "test.assembly.gfa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "5": [ + [ + { + "id": "test", + "single_end": false + }, + "warnings.log:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "6": [ + [ + { + "id": "test", + "single_end": false + }, + "test.spades.log:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "7": [ + "versions.yml:md5,990abcdf543421412170e5cf413ec56d" + ], + "contigs": [ + [ + { + "id": "test", + "single_end": false + }, + "test.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "gene_clusters": [ + [ + { + "id": "test", + "single_end": false + }, + "test.gene_clusters.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "gfa": [ + [ + { + "id": "test", + "single_end": false + }, + "test.assembly.gfa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "log": [ + [ + { + "id": "test", + "single_end": false + }, + "test.spades.log:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "scaffolds": [ + [ + { + "id": "test", + "single_end": false + }, + "test.scaffolds.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "transcripts": [ + [ + { + "id": "test", + "single_end": false + }, + "test.transcripts.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "versions": [ + "versions.yml:md5,990abcdf543421412170e5cf413ec56d" + ], + "warnings": [ + [ + { + "id": "test", + "single_end": false + }, + "warnings.log:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.2" + }, + "timestamp": "2024-06-07T07:20:07.195881734" + } +} \ No newline at end of file diff --git a/modules/nf-core/spades/tests/nextflow.config b/modules/nf-core/spades/tests/nextflow.config new file mode 100644 index 00000000..adec1bde --- /dev/null +++ b/modules/nf-core/spades/tests/nextflow.config @@ -0,0 +1,5 @@ +process { + withName: SPADES { + ext.args = '--rnaviral' + } +} diff --git a/modules/nf-core/spades/tests/tags.yml b/modules/nf-core/spades/tests/tags.yml new file mode 100644 index 00000000..035861ff --- /dev/null +++ b/modules/nf-core/spades/tests/tags.yml @@ -0,0 +1,2 @@ +spades: + - "modules/nf-core/spades/**" diff --git a/workflows/mag.nf b/workflows/mag.nf index f71d4218..ea5abc14 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -47,6 +47,8 @@ include { KRONA_KRONADB } from '../modul include { KRONA_KTIMPORTTAXONOMY } from '../modules/nf-core/krona/ktimporttaxonomy/main' include { KRAKENTOOLS_KREPORT2KRONA as KREPORT2KRONA_CENTRIFUGE } from '../modules/nf-core/krakentools/kreport2krona/main' include { CAT_FASTQ } from '../modules/nf-core/cat/fastq/main' +include { SPADES as METASPADES } from '../modules/nf-core/spades/main' +include { SPADES as METASPADESHYBRID } from '../modules/nf-core/spades/main' include { GUNZIP as GUNZIP_ASSEMBLIES } from '../modules/nf-core/gunzip' include { PRODIGAL } from '../modules/nf-core/prodigal/main' include { PROKKA } from '../modules/nf-core/prokka/main' @@ -67,8 +69,6 @@ include { POOL_SINGLE_READS as POOL_SHORT_SINGLE_READS } from '../modules include { POOL_PAIRED_READS } from '../modules/local/pool_paired_reads' include { POOL_SINGLE_READS as POOL_LONG_READS } from '../modules/local/pool_single_reads' include { MEGAHIT } from '../modules/local/megahit' -include { SPADES } from '../modules/local/spades' -include { SPADESHYBRID } from '../modules/local/spadeshybrid' include { QUAST } from '../modules/local/quast' include { QUAST_BINS } from '../modules/local/quast_bins' include { QUAST_BINS_SUMMARY } from '../modules/local/quast_bins_summary' @@ -589,14 +589,14 @@ workflow MAG { } if (!params.single_end && !params.skip_spades){ - SPADES ( ch_short_reads_spades ) - ch_spades_assemblies = SPADES.out.assembly + METASPADES ( ch_short_reads_spades.map{ meta, reads -> [meta, reads, [], []]}, [], [] ) + ch_spades_assemblies = METASPADES.out.scaffolds .map { meta, assembly -> def meta_new = meta + [assembler: 'SPAdes'] [ meta_new, assembly ] } ch_assemblies = ch_assemblies.mix(ch_spades_assemblies) - ch_versions = ch_versions.mix(SPADES.out.versions.first()) + ch_versions = ch_versions.mix(METASPADES.out.versions.first()) } if (!params.single_end && !params.skip_spadeshybrid){ @@ -606,16 +606,16 @@ workflow MAG { ch_reads_spadeshybrid = ch_long_reads_spades .map { meta, reads -> [ meta.id, meta, reads ] } .combine(ch_short_reads_spades_tmp, by: 0) - .map { id, meta_long, long_reads, meta_short, short_reads -> [ meta_short, long_reads, short_reads ] } + .map { id, meta_long, long_reads, meta_short, short_reads -> [ meta_short, short_reads, [], long_reads ] } - SPADESHYBRID ( ch_reads_spadeshybrid ) - ch_spadeshybrid_assemblies = SPADESHYBRID.out.assembly + METASPADESHYBRID ( ch_reads_spadeshybrid, [], [] ) + ch_spadeshybrid_assemblies = METASPADESHYBRID.out.scaffolds .map { meta, assembly -> def meta_new = meta + [assembler: "SPAdesHybrid"] [ meta_new, assembly ] } ch_assemblies = ch_assemblies.mix(ch_spadeshybrid_assemblies) - ch_versions = ch_versions.mix(SPADESHYBRID.out.versions.first()) + ch_versions = ch_versions.mix(METASPADESHYBRID.out.versions.first()) } } else { ch_assemblies_split = ch_input_assemblies From 391ebd4a60ff52c23fc865592c3a3e531a775d3e Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 9 Sep 2024 16:12:22 +0200 Subject: [PATCH 02/70] Update CHANGELOG.md --- CHANGELOG.md | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 18ddc29e..20583c12 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -9,10 +9,16 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` +- [#666](https://github.com/nf-core/mag/pull/666) - Update SPAdes to version 4.0.0 (requested by @elsherbini, fix by @jfy133) + ### `Fixed` ### `Dependencies` +| Tool | Previous version | New version | +| ------ | ---------------- | ----------- | +| SPAdes | 3.15.3 | 4.0.0 | + ### `Deprecated` ## 3.0.3 [2024-08-27] From e6301c83f3aad9d75926beb86cd0d1a65583ffef Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 10 Sep 2024 10:42:50 +0200 Subject: [PATCH 03/70] Fix output docs --- docs/output.md | 16 ++++++++-------- 1 file changed, 8 insertions(+), 8 deletions(-) diff --git a/docs/output.md b/docs/output.md index 5f889056..320cf09b 100644 --- a/docs/output.md +++ b/docs/output.md @@ -206,10 +206,10 @@ Trimmed (short) reads are assembled with both megahit and SPAdes. Hybrid assembl Output files - `Assembly/SPAdes/` - - `[sample/group]_scaffolds.fasta.gz`: Compressed assembled scaffolds in fasta format - - `[sample/group]_graph.gfa.gz`: Compressed assembly graph in gfa format - - `[sample/group]_contigs.fasta.gz`: Compressed assembled contigs in fasta format - - `[sample/group].log`: Log file + - `[sample/group].scaffolds.fa.gz`: Compressed assembled scaffolds in fasta format + - `[sample/group].assembly.gfa.gz`: Compressed assembly graph in gfa format + - `[sample/group].contigs.fa.gz`: Compressed assembled contigs in fasta format + - `[sample/group].spades.log`: Log file - `QC/[sample/group]/`: Directory containing QUAST files and Bowtie2 mapping logs - `SPAdes-[sample].bowtie2.log`: Bowtie2 log file indicating how many reads have been mapped from the sample that the metagenome was assembled from, only present if `--coassemble_group` is not set. - `SPAdes-[sample/group]-[sampleToMap].bowtie2.log`: Bowtie2 log file indicating how many reads have been mapped from the respective sample ("sampleToMap"). @@ -225,10 +225,10 @@ SPAdesHybrid is a part of the [SPAdes](http://cab.spbu.ru/software/spades/) soft Output files - `Assembly/SPAdesHybrid/` - - `[sample/group]_scaffolds.fasta.gz`: Compressed assembled scaffolds in fasta format - - `[sample/group]_graph.gfa.gz`: Compressed assembly graph in gfa format - - `[sample/group]_contigs.fasta.gz`: Compressed assembled contigs in fasta format - - `[sample/group].log`: Log file + - `[sample/group].scaffolds.fa.gz`: Compressed assembled scaffolds in fasta format + - `[sample/group].assembly.gfa.gz`: Compressed assembly graph in gfa format + - `[sample/group].contigs.fa.gz`: Compressed assembled contigs in fasta format + - `[sample/group].spades.log`: Log file - `QC/[sample/group]/`: Directory containing QUAST files and Bowtie2 mapping logs - `SPAdesHybrid-[sample].bowtie2.log`: Bowtie2 log file indicating how many reads have been mapped from the sample that the metagenome was assembled from, only present if `--coassemble_group` is not set. - `SPAdesHybrid-[sample/group]-[sampleToMap].bowtie2.log`: Bowtie2 log file indicating how many reads have been mapped from the respective sample ("sampleToMap"). From debd080a696a3bf3dfe423fbcdd11f8d5c599333 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 10 Sep 2024 10:43:33 +0200 Subject: [PATCH 04/70] Make sure warnings log also gets a prefix --- modules.json | 2 +- modules/nf-core/spades/main.nf | 8 ++++++-- modules/nf-core/spades/tests/main.nf.test.snap | 6 +++--- 3 files changed, 10 insertions(+), 6 deletions(-) diff --git a/modules.json b/modules.json index d2009658..bbfcc47f 100644 --- a/modules.json +++ b/modules.json @@ -239,7 +239,7 @@ }, "spades": { "branch": "master", - "git_sha": "06c8865e36741e05ad32ef70ab3fac127486af48", + "git_sha": "cfebb244d8c83ae533bf2db399f9af361927d504", "installed_by": ["modules"] }, "tiara/tiara": { diff --git a/modules/nf-core/spades/main.nf b/modules/nf-core/spades/main.nf index 81b36809..36cdfe44 100644 --- a/modules/nf-core/spades/main.nf +++ b/modules/nf-core/spades/main.nf @@ -18,7 +18,7 @@ process SPADES { tuple val(meta), path('*.transcripts.fa.gz') , optional:true, emit: transcripts tuple val(meta), path('*.gene_clusters.fa.gz'), optional:true, emit: gene_clusters tuple val(meta), path('*.assembly.gfa.gz') , optional:true, emit: gfa - tuple val(meta), path('warnings.log') , optional:true, emit: warnings + tuple val(meta), path('*.warnings.log') , optional:true, emit: warnings tuple val(meta), path('*.spades.log') , emit: log path "versions.yml" , emit: versions @@ -66,6 +66,10 @@ process SPADES { gzip -n ${prefix}.gene_clusters.fa fi + if [ -f warnings.log ]; then + mv warnings.log ${prefix}.warnings.log + fi + cat <<-END_VERSIONS > versions.yml "${task.process}": spades: \$(spades.py --version 2>&1 | sed -n 's/^.*SPAdes genome assembler v//p') @@ -88,7 +92,7 @@ process SPADES { echo "" | gzip > ${prefix}.gene_clusters.fa.gz echo "" | gzip > ${prefix}.assembly.gfa.gz touch ${prefix}.spades.log - touch warnings.log + touch ${prefix}.warnings.log cat <<-END_VERSIONS > versions.yml "${task.process}": diff --git a/modules/nf-core/spades/tests/main.nf.test.snap b/modules/nf-core/spades/tests/main.nf.test.snap index 3f8c7718..e1b3b652 100644 --- a/modules/nf-core/spades/tests/main.nf.test.snap +++ b/modules/nf-core/spades/tests/main.nf.test.snap @@ -311,7 +311,7 @@ "id": "test", "single_end": false }, - "warnings.log:md5,d41d8cd98f00b204e9800998ecf8427e" + "test.warnings.log:md5,d41d8cd98f00b204e9800998ecf8427e" ] ], "6": [ @@ -389,7 +389,7 @@ "id": "test", "single_end": false }, - "warnings.log:md5,d41d8cd98f00b204e9800998ecf8427e" + "test.warnings.log:md5,d41d8cd98f00b204e9800998ecf8427e" ] ] } @@ -400,4 +400,4 @@ }, "timestamp": "2024-06-07T07:20:07.195881734" } -} \ No newline at end of file +} From 4d19b8fc90b43636040c93d051ac21cba964a4e2 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 12 Sep 2024 16:01:53 +0200 Subject: [PATCH 05/70] Fix a syntax error (Ben made me do it) --- workflows/mag.nf | 222 ++++++++++++++++++++++++----------------------- 1 file changed, 113 insertions(+), 109 deletions(-) diff --git a/workflows/mag.nf b/workflows/mag.nf index c3bb9fca..3e628f37 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -50,6 +50,7 @@ include { CAT_FASTQ } from '../modul include { SPADES as METASPADES } from '../modules/nf-core/spades/main' include { SPADES as METASPADESHYBRID } from '../modules/nf-core/spades/main' include { GUNZIP as GUNZIP_ASSEMBLIES } from '../modules/nf-core/gunzip' +include { GUNZIP as GUNZIP_ASSEMBLYINPUT } from '../modules/nf-core/gunzip' include { PRODIGAL } from '../modules/nf-core/prodigal/main' include { PROKKA } from '../modules/nf-core/prokka/main' include { MMSEQS_DATABASES } from '../modules/nf-core/mmseqs/databases/main' @@ -79,112 +80,105 @@ include { CAT_SUMMARY } from "../modules include { BIN_SUMMARY } from '../modules/local/bin_summary' include { COMBINE_TSV as COMBINE_SUMMARY_TSV } from '../modules/local/combine_tsv' -//////////////////////////////////////////////////// -/* -- Create channel for reference databases -- */ -//////////////////////////////////////////////////// - -if ( params.host_genome ) { - host_fasta = params.genomes[params.host_genome].fasta ?: false - ch_host_fasta = Channel - .value(file( "${host_fasta}" )) - host_bowtie2index = params.genomes[params.host_genome].bowtie2 ?: false - ch_host_bowtie2index = Channel - .value(file( "${host_bowtie2index}/*" )) -} else if ( params.host_fasta ) { - ch_host_fasta = Channel - .value(file( "${params.host_fasta}" )) -} else { - ch_host_fasta = Channel.empty() -} - -if (params.busco_db) { - ch_busco_db = file(params.busco_db, checkIfExists: true) -} else { - ch_busco_db = [] -} +workflow MAG { -if(params.checkm_db) { - ch_checkm_db = file(params.checkm_db, checkIfExists: true) -} + take: + ch_raw_short_reads // channel: samplesheet read in from --input + ch_raw_long_reads + ch_input_assemblies -if (params.gunc_db) { - ch_gunc_db = file(params.gunc_db, checkIfExists: true) -} else { - ch_gunc_db = Channel.empty() -} + main: -if(params.kraken2_db){ - ch_kraken2_db_file = file(params.kraken2_db, checkIfExists: true) -} else { - ch_kraken2_db_file = [] -} + ch_versions = Channel.empty() + ch_multiqc_files = Channel.empty() -if(params.cat_db){ - ch_cat_db_file = Channel - .value(file( "${params.cat_db}" )) -} else { - ch_cat_db_file = Channel.empty() -} + //////////////////////////////////////////////////// + /* -- Create channel for reference databases -- */ + //////////////////////////////////////////////////// + + if ( params.host_genome ) { + host_fasta = params.genomes[params.host_genome].fasta ?: false + ch_host_fasta = Channel + .value(file( "${host_fasta}" )) + host_bowtie2index = params.genomes[params.host_genome].bowtie2 ?: false + ch_host_bowtie2index = Channel + .value(file( "${host_bowtie2index}/*" )) + } else if ( params.host_fasta ) { + ch_host_fasta = Channel + .value(file( "${params.host_fasta}" )) + } else { + ch_host_fasta = Channel.empty() + } -if(params.krona_db){ - ch_krona_db_file = Channel - .value(file( "${params.krona_db}" )) -} else { - ch_krona_db_file = Channel.empty() -} + if (params.busco_db) { + ch_busco_db = file(params.busco_db, checkIfExists: true) + } else { + ch_busco_db = [] + } -if(!params.keep_phix) { - ch_phix_db_file = Channel - .value(file( "${params.phix_reference}" )) -} + if(params.checkm_db) { + ch_checkm_db = file(params.checkm_db, checkIfExists: true) + } -if (!params.keep_lambda) { - ch_nanolyse_db = Channel - .value(file( "${params.lambda_reference}" )) -} + if (params.gunc_db) { + ch_gunc_db = file(params.gunc_db, checkIfExists: true) + } else { + ch_gunc_db = Channel.empty() + } -if (params.genomad_db){ - ch_genomad_db = file(params.genomad_db, checkIfExists: true) -} else { - ch_genomad_db = Channel.empty() -} + if(params.kraken2_db){ + ch_kraken2_db_file = file(params.kraken2_db, checkIfExists: true) + } else { + ch_kraken2_db_file = [] + } -gtdb = ( params.skip_binqc || params.skip_gtdbtk ) ? false : params.gtdb_db + if(params.cat_db){ + ch_cat_db_file = Channel + .value(file( "${params.cat_db}" )) + } else { + ch_cat_db_file = Channel.empty() + } -if (gtdb) { - gtdb = file( "${gtdb}", checkIfExists: true) - gtdb_mash = params.gtdb_mash ? file("${params.gtdb_mash}", checkIfExists: true) : [] -} else { - gtdb = [] -} + if(params.krona_db){ + ch_krona_db_file = Channel + .value(file( "${params.krona_db}" )) + } else { + ch_krona_db_file = Channel.empty() + } -if(params.metaeuk_db && !params.skip_metaeuk) { - ch_metaeuk_db = Channel. - value(file("${params.metaeuk_db}", checkIfExists: true)) -} else { - ch_metaeuk_db = Channel.empty() -} + if(!params.keep_phix) { + ch_phix_db_file = Channel + .value(file( "${params.phix_reference}" )) + } -/* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - RUN MAIN WORKFLOW -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -*/ + if (!params.keep_lambda) { + ch_nanolyse_db = Channel + .value(file( "${params.lambda_reference}" )) + } -// Additional info for completion email and summary -def busco_failed_bins = [:] + if (params.genomad_db){ + ch_genomad_db = file(params.genomad_db, checkIfExists: true) + } else { + ch_genomad_db = Channel.empty() + } -workflow MAG { + gtdb = ( params.skip_binqc || params.skip_gtdbtk ) ? false : params.gtdb_db - take: - ch_raw_short_reads // channel: samplesheet read in from --input - ch_raw_long_reads - ch_input_assemblies + if (gtdb) { + gtdb = file( "${gtdb}", checkIfExists: true) + gtdb_mash = params.gtdb_mash ? file("${params.gtdb_mash}", checkIfExists: true) : [] + } else { + gtdb = [] + } - main: + if(params.metaeuk_db && !params.skip_metaeuk) { + ch_metaeuk_db = Channel.value(file("${params.metaeuk_db}", checkIfExists: true)) + } else { + ch_metaeuk_db = Channel.empty() + } - ch_versions = Channel.empty() - ch_multiqc_files = Channel.empty() + // Additional info for completion email and summary + def busco_failed_bins = [:] // Get checkM database if not supplied @@ -510,7 +504,8 @@ workflow MAG { */ if ( !params.assembly_input ) { - // Co-assembly: prepare grouping for MEGAHIT and for pooling for SPAdes + + // Co-assembly preparation: grouping for MEGAHIT and for pooling for SPAdes if (params.coassemble_group) { // short reads // group and set group as new id @@ -549,20 +544,6 @@ workflow MAG { ch_long_reads_grouped = ch_long_reads } - ch_assemblies = Channel.empty() - - if (!params.skip_megahit){ - MEGAHIT ( ch_short_reads_grouped ) - ch_megahit_assemblies = MEGAHIT.out.assembly - .map { meta, assembly -> - def meta_new = meta + [assembler: 'MEGAHIT'] - [ meta_new, assembly ] - } - ch_assemblies = ch_assemblies.mix(ch_megahit_assemblies) - ch_versions = ch_versions.mix(MEGAHIT.out.versions.first()) - } - - // Co-assembly: pool reads for SPAdes if ( ! params.skip_spades || ! params.skip_spadeshybrid ){ if ( params.coassemble_group ) { if ( params.bbnorm ) { @@ -594,6 +575,10 @@ workflow MAG { ch_long_reads_spades = Channel.empty() } + // Assembly + + ch_assembled_contigs = Channel.empty() + if (!params.single_end && !params.skip_spades){ METASPADES ( ch_short_reads_spades.map{ meta, reads -> [meta, reads, [], []]}, [], [] ) ch_spades_assemblies = METASPADES.out.scaffolds @@ -601,7 +586,7 @@ workflow MAG { def meta_new = meta + [assembler: 'SPAdes'] [ meta_new, assembly ] } - ch_assemblies = ch_assemblies.mix(ch_spades_assemblies) + ch_assembled_contigs = ch_assembled_contigs.mix(ch_spades_assemblies) ch_versions = ch_versions.mix(METASPADES.out.versions.first()) } @@ -620,9 +605,28 @@ workflow MAG { def meta_new = meta + [assembler: "SPAdesHybrid"] [ meta_new, assembly ] } - ch_assemblies = ch_assemblies.mix(ch_spadeshybrid_assemblies) + ch_assembled_contigs = ch_assembled_contigs.mix(ch_spadeshybrid_assemblies) ch_versions = ch_versions.mix(METASPADESHYBRID.out.versions.first()) } + + if (!params.skip_megahit){ + MEGAHIT ( ch_short_reads_grouped ) + ch_megahit_assemblies = MEGAHIT.out.assembly + .map { meta, assembly -> + def meta_new = meta + [assembler: 'MEGAHIT'] + [ meta_new, assembly ] + } + ch_assembled_contigs = ch_assembled_contigs.mix(ch_megahit_assemblies) + ch_versions = ch_versions.mix(MEGAHIT.out.versions.first()) + } + + + + GUNZIP_ASSEMBLIES ( ch_assembled_contigs ) + ch_versions = ch_versions.mix(GUNZIP_ASSEMBLIES .out.versions) + + ch_assemblies = GUNZIP_ASSEMBLIES.out.gunzip + } else { ch_assemblies_split = ch_input_assemblies .branch { meta, assembly -> @@ -630,11 +634,11 @@ workflow MAG { ungzip: true } - GUNZIP_ASSEMBLIES(ch_assemblies_split.gzipped) - ch_versions = ch_versions.mix(GUNZIP_ASSEMBLIES.out.versions) + GUNZIP_ASSEMBLYINPUT(ch_assemblies_split.gunzip) + ch_versions = ch_versions.mix(GUNZIP_ASSEMBLYINPUT.out.versions) ch_assemblies = Channel.empty() - ch_assemblies = ch_assemblies.mix(ch_assemblies_split.ungzip, GUNZIP_ASSEMBLIES.out.gunzip) + ch_assemblies = ch_assemblies.mix(ch_assemblies_split.ungzip, GUNZIP_ASSEMBLYINPUT.out.gunzip) } ch_quast_multiqc = Channel.empty() From 5437376f5ba2594e1c15de6b0050417dd079a343 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Fri, 20 Sep 2024 15:25:47 +0200 Subject: [PATCH 06/70] Switch local MEGAHIT to official nf-core one --- conf/modules.config | 4 +- modules.json | 5 + modules/local/megahit.nf | 40 ---- modules/nf-core/megahit/environment.yml | 6 + modules/nf-core/megahit/main.nf | 70 +++++++ modules/nf-core/megahit/meta.yml | 114 ++++++++++++ modules/nf-core/megahit/tests/main.nf.test | 126 +++++++++++++ .../nf-core/megahit/tests/main.nf.test.snap | 172 ++++++++++++++++++ modules/nf-core/megahit/tests/tags.yml | 2 + workflows/mag.nf | 4 +- 10 files changed, 499 insertions(+), 44 deletions(-) delete mode 100644 modules/local/megahit.nf create mode 100644 modules/nf-core/megahit/environment.yml create mode 100644 modules/nf-core/megahit/main.nf create mode 100644 modules/nf-core/megahit/meta.yml create mode 100644 modules/nf-core/megahit/tests/main.nf.test create mode 100644 modules/nf-core/megahit/tests/main.nf.test.snap create mode 100644 modules/nf-core/megahit/tests/tags.yml diff --git a/conf/modules.config b/conf/modules.config index 09a8d5f3..2ed68105 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -117,10 +117,9 @@ process { publishDir = [path: { "${params.outdir}/Taxonomy/${meta.classifier}/${meta.id}" }, mode: params.publish_dir_mode, pattern: "*.html"] } - //pattern: "*.{fa.gz,log}" //'pattern' didnt work, probably because the output is in a folder, solved with 'saveAs' withName: MEGAHIT { ext.args = params.megahit_options ?: '' - publishDir = [path: { "${params.outdir}/Assembly" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename.indexOf('.contigs.fa.gz') > 0 ? filename : filename.indexOf('.log') > 0 ? filename : null }] + publishDir = [path: { "${params.outdir}/Assembly/MEGAHIT" }, mode: params.publish_dir_mode, pattern: "*.{fa.gz,log}"] } withName: METASPADES { @@ -240,6 +239,7 @@ process { withName: PRODIGAL { ext.args = "-p meta" + ext.prefix = { "${meta.assembler}-${meta.id}_prodigal" } publishDir = [path: { "${params.outdir}/Annotation/Prodigal/${meta.assembler}/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } diff --git a/modules.json b/modules.json index 1f387db8..fdcb25e5 100644 --- a/modules.json +++ b/modules.json @@ -167,6 +167,11 @@ "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", "installed_by": ["modules"] }, + "megahit": { + "branch": "master", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "installed_by": ["modules"] + }, "metabat2/jgisummarizebamcontigdepths": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", diff --git a/modules/local/megahit.nf b/modules/local/megahit.nf deleted file mode 100644 index 6f31425c..00000000 --- a/modules/local/megahit.nf +++ /dev/null @@ -1,40 +0,0 @@ -process MEGAHIT { - tag "$meta.id" - - conda "bioconda::megahit=1.2.9" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/megahit:1.2.9--h2e03b76_1' : - 'biocontainers/megahit:1.2.9--h2e03b76_1' }" - - input: - tuple val(meta), path(reads1), path(reads2) - - output: - tuple val(meta), path("MEGAHIT/MEGAHIT-${meta.id}.contigs.fa"), emit: assembly - path "MEGAHIT/*.log" , emit: log - path "MEGAHIT/MEGAHIT-${meta.id}.contigs.fa.gz" , emit: assembly_gz - path "versions.yml" , emit: versions - - script: - def args = task.ext.args ?: '' - def input = meta.single_end ? "-r \"" + reads1.join(",") + "\"" : "-1 \"" + reads1.join(",") + "\" -2 \"" + reads2.join(",") + "\"" - mem = task.memory.toBytes() - if ( !params.megahit_fix_cpu_1 || task.cpus == 1 ) - """ - ## Check if we're in the same work directory as a previous failed MEGAHIT run - if [[ -d MEGAHIT ]]; then - rm -r MEGAHIT/ - fi - - megahit $args -t "${task.cpus}" -m $mem $input -o MEGAHIT --out-prefix "MEGAHIT-${meta.id}" - - gzip -c "MEGAHIT/MEGAHIT-${meta.id}.contigs.fa" > "MEGAHIT/MEGAHIT-${meta.id}.contigs.fa.gz" - - cat <<-END_VERSIONS > versions.yml - "${task.process}": - megahit: \$(echo \$(megahit -v 2>&1) | sed 's/MEGAHIT v//') - END_VERSIONS - """ - else - error "ERROR: '--megahit_fix_cpu_1' was specified, but not succesfully applied. Likely this is caused by changed process properties in a custom config file." -} diff --git a/modules/nf-core/megahit/environment.yml b/modules/nf-core/megahit/environment.yml new file mode 100644 index 00000000..eed8b725 --- /dev/null +++ b/modules/nf-core/megahit/environment.yml @@ -0,0 +1,6 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::megahit=1.2.9 + - conda-forge::pigz=2.8 diff --git a/modules/nf-core/megahit/main.nf b/modules/nf-core/megahit/main.nf new file mode 100644 index 00000000..df1f72a7 --- /dev/null +++ b/modules/nf-core/megahit/main.nf @@ -0,0 +1,70 @@ +process MEGAHIT { + tag "${meta.id}" + label 'process_high' + conda "${moduleDir}/environment.yml" + container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? + 'oras://community.wave.seqera.io/library/megahit_pigz:657d77006ae5f222' : + 'community.wave.seqera.io/library/megahit_pigz:87a590163e594224' }" + + input: + tuple val(meta), path(reads1), path(reads2) + + output: + tuple val(meta), path("*.contigs.fa.gz") , emit: contigs + tuple val(meta), path("intermediate_contigs/k*.contigs.fa.gz") , emit: k_contigs + tuple val(meta), path("intermediate_contigs/k*.addi.fa.gz") , emit: addi_contigs + tuple val(meta), path("intermediate_contigs/k*.local.fa.gz") , emit: local_contigs + tuple val(meta), path("intermediate_contigs/k*.final.contigs.fa.gz"), emit: kfinal_contigs + tuple val(meta), path('*.log') , emit: log + path "versions.yml" , emit: versions + + when: + task.ext.when == null || task.ext.when + + script: + def args = task.ext.args ?: '' + def args2 = task.ext.args2 ?: '' + def prefix = task.ext.prefix ?: "${meta.id}" + def reads_command = meta.single_end || !reads2 ? "-r ${reads1}" : "-1 ${reads1.join(',')} -2 ${reads2.join(',')}" + """ + megahit \\ + ${reads_command} \\ + ${args} \\ + -t ${task.cpus} \\ + --out-prefix ${prefix} + + pigz \\ + --no-name \\ + -p ${task.cpus} \\ + ${args2} \\ + megahit_out/*.fa \\ + megahit_out/intermediate_contigs/*.fa + + mv megahit_out/* . + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + megahit: \$(echo \$(megahit -v 2>&1) | sed 's/MEGAHIT v//') + END_VERSIONS + """ + + stub: + def args = task.ext.args ?: '' + def args2 = task.ext.args2 ?: '' + def prefix = task.ext.prefix ?: "${meta.id}" + def reads_command = meta.single_end || !reads2 ? "-r ${reads1}" : "-1 ${reads1.join(',')} -2 ${reads2.join(',')}" + """ + mkdir -p intermediate_contigs + echo "" | gzip > ${prefix}.contigs.fa.gz + echo "" | gzip > intermediate_contigs/k21.contigs.fa.gz + echo "" | gzip > intermediate_contigs/k21.addi.fa.gz + echo "" | gzip > intermediate_contigs/k21.local.fa.gz + echo "" | gzip > intermediate_contigs/k21.final.contigs.fa.gz + touch ${prefix}.log + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + megahit: \$(echo \$(megahit -v 2>&1) | sed 's/MEGAHIT v//') + END_VERSIONS + """ +} diff --git a/modules/nf-core/megahit/meta.yml b/modules/nf-core/megahit/meta.yml new file mode 100644 index 00000000..04dab4c2 --- /dev/null +++ b/modules/nf-core/megahit/meta.yml @@ -0,0 +1,114 @@ +name: megahit +description: An ultra-fast metagenomic assembler for large and complex metagenomics +keywords: + - megahit + - denovo + - assembly + - debruijn + - metagenomics +tools: + - megahit: + description: "An ultra-fast single-node solution for large and complex metagenomics + assembly via succinct de Bruijn graph" + homepage: https://github.com/voutcn/megahit + documentation: https://github.com/voutcn/megahit + tool_dev_url: https://github.com/voutcn/megahit + doi: "10.1093/bioinformatics/btv033" + licence: ["GPL v3"] + args_id: "$args" + identifier: biotools:megahit + - pigz: + description: "Parallel implementation of the gzip algorithm." + homepage: "https://zlib.net/pigz/" + documentation: "https://zlib.net/pigz/pigz.pdf" + args_id: "$args2" + + identifier: biotools:megahit +input: + - - meta: + type: map + description: | + Groovy Map containing sample information and input single, or paired-end FASTA/FASTQ files (optionally decompressed) + e.g. [ id:'test', single_end:false ] + - reads1: + type: file + description: | + A single or list of input FastQ files for single-end or R1 of paired-end library(s), + respectively in gzipped or uncompressed FASTQ or FASTA format. + - reads2: + type: file + description: | + A single or list of input FastQ files for R2 of paired-end library(s), + respectively in gzipped or uncompressed FASTQ or FASTA format. +output: + - contigs: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.contigs.fa.gz": + type: file + description: Final final contigs result of the assembly in FASTA format. + pattern: "*.contigs.fa.gz" + - k_contigs: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - intermediate_contigs/k*.contigs.fa.gz: + type: file + description: Contigs assembled from the de Bruijn graph of order-K + pattern: "k*.contigs.fa.gz" + - addi_contigs: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - intermediate_contigs/k*.addi.fa.gz: + type: file + description: Contigs assembled after iteratively removing local low coverage + unitigs in the de Bruijn graph of order-K + pattern: "k*.addi.fa.gz" + - local_contigs: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - intermediate_contigs/k*.local.fa.gz: + type: file + description: Contigs of the locally assembled contigs for k=K + pattern: "k*.local.fa.gz" + - kfinal_contigs: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - intermediate_contigs/k*.final.contigs.fa.gz: + type: file + description: Stand-alone contigs for k=K; if local assembly is turned on, the + file will be empty + pattern: "k*.final.contigs.fa.gz" + - log: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.log": + type: file + description: Log file containing statistics of the assembly output + pattern: "*.log" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" +authors: + - "@jfy133" +maintainers: + - "@jfy133" diff --git a/modules/nf-core/megahit/tests/main.nf.test b/modules/nf-core/megahit/tests/main.nf.test new file mode 100644 index 00000000..b52765d4 --- /dev/null +++ b/modules/nf-core/megahit/tests/main.nf.test @@ -0,0 +1,126 @@ +nextflow_process { + + name "Test Process MEGAHIT" + script "../main.nf" + process "MEGAHIT" + + tag "modules" + tag "modules_nfcore" + tag "megahit" + + test("sarscov2 - fastq - se") { + + when { + process { + """ + input[0] = [ [id:"test", single_end:true], + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + []] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert path(process.out.contigs[0][1]).linesGzip.toString().contains(">k") }, + { assert process.out.k_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.addi_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.local_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.kfinal_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert snapshot( + path(process.out.log[0][1]).readLines().last().contains("ALL DONE. Time elapsed"), + process.out.versions + ).match() + } + ) + } + + } + + test("sarscov2 - fastq - pe") { + + when { + process { + """ + input[0] = [ [id:"test", single_end:false], + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true) + ] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert path(process.out.contigs[0][1]).linesGzip.toString().contains(">k") }, + { assert process.out.k_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.addi_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.local_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.kfinal_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert snapshot( + path(process.out.log[0][1]).readLines().last().contains("ALL DONE. Time elapsed"), + process.out.versions + ).match() + } + ) + } + + } + + test("sarscov2 - fastq - pe - coassembly") { + + when { + process { + """ + input[0] = [ [id:"test", single_end:false], + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_1.fastq.gz', checkIfExists: true)] , + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true), file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_2.fastq.gz', checkIfExists: true)] + ] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert path(process.out.contigs[0][1]).linesGzip.toString().contains(">k") }, + { assert process.out.k_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.addi_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.local_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert process.out.kfinal_contigs[0][1].each{path(it).linesGzip.toString().contains(">k")}}, + { assert snapshot( + path(process.out.log[0][1]).readLines().last().contains("ALL DONE. Time elapsed"), + process.out.versions + ).match() + } + ) + } + + } + + test("sarscov2 - stub") { + + options "-stub" + + when { + process { + """ + input[0] = [ [id:"test", single_end:true], + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + [] + ] + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + +} diff --git a/modules/nf-core/megahit/tests/main.nf.test.snap b/modules/nf-core/megahit/tests/main.nf.test.snap new file mode 100644 index 00000000..4677cc33 --- /dev/null +++ b/modules/nf-core/megahit/tests/main.nf.test.snap @@ -0,0 +1,172 @@ +{ + "sarscov2 - fastq - se": { + "content": [ + true, + [ + "versions.yml:md5,e3c0731297c9abe2f495ab6d541ac0e6" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.4" + }, + "timestamp": "2024-09-12T16:45:42.387947698" + }, + "sarscov2 - fastq - pe": { + "content": [ + true, + [ + "versions.yml:md5,e3c0731297c9abe2f495ab6d541ac0e6" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.4" + }, + "timestamp": "2024-09-12T16:45:48.679485983" + }, + "sarscov2 - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + [ + "k21.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940", + "k21.final.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ] + ], + "2": [ + [ + { + "id": "test", + "single_end": true + }, + "k21.addi.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "3": [ + [ + { + "id": "test", + "single_end": true + }, + "k21.local.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "4": [ + [ + { + "id": "test", + "single_end": true + }, + "k21.final.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "5": [ + [ + { + "id": "test", + "single_end": true + }, + "test.log:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "6": [ + "versions.yml:md5,e3c0731297c9abe2f495ab6d541ac0e6" + ], + "addi_contigs": [ + [ + { + "id": "test", + "single_end": true + }, + "k21.addi.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "contigs": [ + [ + { + "id": "test", + "single_end": true + }, + "test.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "k_contigs": [ + [ + { + "id": "test", + "single_end": true + }, + [ + "k21.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940", + "k21.final.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ] + ], + "kfinal_contigs": [ + [ + { + "id": "test", + "single_end": true + }, + "k21.final.contigs.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "local_contigs": [ + [ + { + "id": "test", + "single_end": true + }, + "k21.local.fa.gz:md5,68b329da9893e34099c7d8ad5cb9c940" + ] + ], + "log": [ + [ + { + "id": "test", + "single_end": true + }, + "test.log:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e3c0731297c9abe2f495ab6d541ac0e6" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.4" + }, + "timestamp": "2024-09-12T16:44:35.245399991" + }, + "sarscov2 - fastq - pe - coassembly": { + "content": [ + true, + [ + "versions.yml:md5,e3c0731297c9abe2f495ab6d541ac0e6" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.4" + }, + "timestamp": "2024-09-12T16:45:56.23363342" + } +} \ No newline at end of file diff --git a/modules/nf-core/megahit/tests/tags.yml b/modules/nf-core/megahit/tests/tags.yml new file mode 100644 index 00000000..9e865846 --- /dev/null +++ b/modules/nf-core/megahit/tests/tags.yml @@ -0,0 +1,2 @@ +megahit: + - "modules/nf-core/megahit/**" diff --git a/workflows/mag.nf b/workflows/mag.nf index 3e628f37..1eeb926d 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -47,6 +47,7 @@ include { KRONA_KRONADB } from '../modul include { KRONA_KTIMPORTTAXONOMY } from '../modules/nf-core/krona/ktimporttaxonomy/main' include { KRAKENTOOLS_KREPORT2KRONA as KREPORT2KRONA_CENTRIFUGE } from '../modules/nf-core/krakentools/kreport2krona/main' include { CAT_FASTQ } from '../modules/nf-core/cat/fastq/main' +include { MEGAHIT } from '../modules/nf-core/megahit/main' include { SPADES as METASPADES } from '../modules/nf-core/spades/main' include { SPADES as METASPADESHYBRID } from '../modules/nf-core/spades/main' include { GUNZIP as GUNZIP_ASSEMBLIES } from '../modules/nf-core/gunzip' @@ -69,7 +70,6 @@ include { KRAKEN2 } from '../modules include { POOL_SINGLE_READS as POOL_SHORT_SINGLE_READS } from '../modules/local/pool_single_reads' include { POOL_PAIRED_READS } from '../modules/local/pool_paired_reads' include { POOL_SINGLE_READS as POOL_LONG_READS } from '../modules/local/pool_single_reads' -include { MEGAHIT } from '../modules/local/megahit' include { QUAST } from '../modules/local/quast' include { QUAST_BINS } from '../modules/local/quast_bins' include { QUAST_BINS_SUMMARY } from '../modules/local/quast_bins_summary' @@ -611,7 +611,7 @@ workflow MAG { if (!params.skip_megahit){ MEGAHIT ( ch_short_reads_grouped ) - ch_megahit_assemblies = MEGAHIT.out.assembly + ch_megahit_assemblies = MEGAHIT.out.contigs .map { meta, assembly -> def meta_new = meta + [assembler: 'MEGAHIT'] [ meta_new, assembly ] From 12b13d37f625d8ea71387ef0cbe676a338a8671c Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Fri, 20 Sep 2024 15:31:53 +0200 Subject: [PATCH 07/70] Fix wrongly set branch --- workflows/mag.nf | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/workflows/mag.nf b/workflows/mag.nf index 1eeb926d..6b7610bc 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -634,7 +634,7 @@ workflow MAG { ungzip: true } - GUNZIP_ASSEMBLYINPUT(ch_assemblies_split.gunzip) + GUNZIP_ASSEMBLYINPUT(ch_assemblies_split.gzipped) ch_versions = ch_versions.mix(GUNZIP_ASSEMBLYINPUT.out.versions) ch_assemblies = Channel.empty() From 7d7ad71fcaf4fc02af121706bb0c1b2ce20438e6 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Fri, 20 Sep 2024 15:58:11 +0200 Subject: [PATCH 08/70] Fix linting --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 4964154b..13e79a7c 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -256,7 +256,7 @@ process { ext.prefix = { "SPAdesHybrid-${meta.id}" } publishDir = [path: { "${params.outdir}/Assembly/SPAdesHybrid" }, mode: params.publish_dir_mode, pattern: "*.{fasta.gz,gfa.gz,fa.gz,log}"] } - + withName: QUAST { publishDir = [path: { "${params.outdir}/Assembly/${meta.assembler}/QC/${meta.id}" }, mode: params.publish_dir_mode, saveAs: { filename -> filename.equals('versions.yml') ? null : filename }] } From 9d7ce62724c296efaaabd1c970e114379b2bb09b Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 3 Oct 2024 15:57:34 +0200 Subject: [PATCH 09/70] Replace assembler single-use fix-cpu functions with single line definitions --- conf/base.config | 6 +++--- nextflow.config | 15 --------------- 2 files changed, 3 insertions(+), 18 deletions(-) diff --git a/conf/base.config b/conf/base.config index 71360a75..ac6fa2a0 100644 --- a/conf/base.config +++ b/conf/base.config @@ -120,7 +120,7 @@ process { } //MEGAHIT returns exit code 250 when running out of memory withName: MEGAHIT { - cpus = { check_megahit_cpus(8, task.attempt) } + cpus = { params.megahit_fix_cpu_1 ? 1 : 8 * task.attempt } memory = { check_max(40.GB * task.attempt, 'memory') } time = { check_max(16.h * task.attempt, 'time') } errorStrategy = { task.exitStatus in ((130..145) + 104 + 250) ? 'retry' : 'finish' } @@ -128,14 +128,14 @@ process { //SPAdes returns error(1) if it runs out of memory (and for other reasons as well...)! //exponential increase of memory and time with attempts, keep number of threads to enable reproducibility withName: METASPADES { - cpus = { check_spades_cpus(10, task.attempt) } + cpus = { params.spades_fix_cpus != -1 ? params.spades_fix_cpus : 10 * task.attempt } memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } errorStrategy = { task.exitStatus in ((130..145) + 104 + 21 + 12 + 1) ? 'retry' : 'finish' } maxRetries = 5 } withName: METASPADESHYBRID { - cpus = { check_spadeshybrid_cpus(10, task.attempt) } + cpus = { params.spadeshybrid_fix_cpus != -1 ? params.spadeshybrid_fix_cpus : 10 * task.attempt } memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } errorStrategy = { task.exitStatus in [143, 137, 21, 1] ? 'retry' : 'finish' } diff --git a/nextflow.config b/nextflow.config index 3b43df33..c2154fc9 100644 --- a/nextflow.config +++ b/nextflow.config @@ -430,18 +430,3 @@ def check_max(obj, type) { } } } - -// Functions to fix number of cpus to allow reproducibility for MEGAHIT and SPAdes -// if corresponding parameters are specified, number of cpus is not increased with retries -def check_megahit_cpus (x, attempt ) { - if (params.megahit_fix_cpu_1) return 1 - else return check_max (x * attempt, 'cpus' ) -} -def check_spades_cpus (x, attempt ) { - if (params.spades_fix_cpus != -1) return check_max (params.spades_fix_cpus, 'cpus' ) - else return check_max (x * attempt, 'cpus' ) -} -def check_spadeshybrid_cpus (x, attempt ) { - if (params.spadeshybrid_fix_cpus != -1) return check_max (params.spadeshybrid_fix_cpus, 'cpus' ) - else return check_max (x * attempt, 'cpus' ) -} From ce449f2dcea6f22763c06e04901e869d8c58b0a6 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 3 Oct 2024 16:40:42 +0200 Subject: [PATCH 10/70] Ensure checkmax is still used --- conf/base.config | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/conf/base.config b/conf/base.config index ac6fa2a0..5fe07f17 100644 --- a/conf/base.config +++ b/conf/base.config @@ -120,7 +120,7 @@ process { } //MEGAHIT returns exit code 250 when running out of memory withName: MEGAHIT { - cpus = { params.megahit_fix_cpu_1 ? 1 : 8 * task.attempt } + cpus = { params.megahit_fix_cpu_1 ? 1 : check_max(8 * task.attempt, 'cpus') } memory = { check_max(40.GB * task.attempt, 'memory') } time = { check_max(16.h * task.attempt, 'time') } errorStrategy = { task.exitStatus in ((130..145) + 104 + 250) ? 'retry' : 'finish' } @@ -128,14 +128,14 @@ process { //SPAdes returns error(1) if it runs out of memory (and for other reasons as well...)! //exponential increase of memory and time with attempts, keep number of threads to enable reproducibility withName: METASPADES { - cpus = { params.spades_fix_cpus != -1 ? params.spades_fix_cpus : 10 * task.attempt } + cpus = { params.spades_fix_cpus != -1 ? params.spades_fix_cpus : check_max(10 * task.attempt, 'cpus') } memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } errorStrategy = { task.exitStatus in ((130..145) + 104 + 21 + 12 + 1) ? 'retry' : 'finish' } maxRetries = 5 } withName: METASPADESHYBRID { - cpus = { params.spadeshybrid_fix_cpus != -1 ? params.spadeshybrid_fix_cpus : 10 * task.attempt } + cpus = { params.spadeshybrid_fix_cpus != -1 ? params.spadeshybrid_fix_cpus : check_max(10 * task.attempt, 'cpus') } memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } errorStrategy = { task.exitStatus in [143, 137, 21, 1] ? 'retry' : 'finish' } From efabee706a72413e10817a4aa46b357895513351 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 3 Oct 2024 16:46:55 +0200 Subject: [PATCH 11/70] Specify also module changes --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index b34857ba..f6295c88 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -14,7 +14,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#664](https://github.com/nf-core/mag/pull/664) - Update GTDBTk to latest version, with updated column names, update GTDB to release 220 (by @dialvarezs) - [#676](https://github.com/nf-core/mag/pull/676) - Added exit code 12 to valid SPAdes retry codes, due to OOM errors from spades-hammer (reported by @bawee, fix by @jfy133) -- [#666](https://github.com/nf-core/mag/pull/666) - Update SPAdes to version 4.0.0 (requested by @elsherbini, fix by @jfy133) +- [#666](https://github.com/nf-core/mag/pull/666) - Update SPAdes to version 4.0.0, replace both METASPADES and MEGAHIT with official nf-core modules (requested by @elsherbini, fix by @jfy133) ### `Fixed` From d7e51ef3f0564732306cba827fb28e03af7b3bf5 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Fri, 4 Oct 2024 09:21:06 +0200 Subject: [PATCH 12/70] Lets see if SPAdes now works with fusion with the new container... --- conf/test_full.config | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/conf/test_full.config b/conf/test_full.config index 9a01bc58..b09e6fe1 100644 --- a/conf/test_full.config +++ b/conf/test_full.config @@ -16,30 +16,30 @@ params { // Input data for full size test // hg19 reference with highly conserved and low-complexity regions masked by Brian Bushnell - host_fasta = "s3://ngi-igenomes/test-data/mag/hg19_main_mask_ribo_animal_allplant_allfungus.fa.gz" - input = "s3://ngi-igenomes/test-data/mag/samplesheets/samplesheet.full.csv" + host_fasta = "s3://ngi-igenomes/test-data/mag/hg19_main_mask_ribo_animal_allplant_allfungus.fa.gz" + input = "s3://ngi-igenomes/test-data/mag/samplesheets/samplesheet.full.csv" //centrifuge_db = "s3://ngi-igenomes/test-data/mag/p_compressed+h+v.tar.gz" - kraken2_db = "s3://ngi-igenomes/test-data/mag/minikraken_8GB_202003.tgz" - cat_db = "s3://ngi-igenomes/test-data/mag/CAT_prepare_20210107.tar.gz" + kraken2_db = "s3://ngi-igenomes/test-data/mag/minikraken_8GB_202003.tgz" + cat_db = "s3://ngi-igenomes/test-data/mag/CAT_prepare_20210107.tar.gz" // gtdb_db = "s3://ngi-igenomes/test-data/mag/gtdbtk_r214_data.tar.gz" ## This should be updated to release 220, once we get GTDB-Tk working again - skip_gtdbtk = true + skip_gtdbtk = true // TODO TEMPORARY: deactivate SPAdes due to incompatibility of container with fusion file system - skip_spades = true - skip_spadeshybrid = true + skip_spades = false + skip_spadeshybrid = false // reproducibility options for assembly - spades_fix_cpus = 10 - spadeshybrid_fix_cpus = 10 - megahit_fix_cpu_1 = true + spades_fix_cpus = 10 + spadeshybrid_fix_cpus = 10 + megahit_fix_cpu_1 = true // available options to enable reproducibility for BUSCO (--busco_db) not used here // to allow detection of possible problems in automated lineage selection mode using public databases // test CAT with official taxonomic ranks only - cat_official_taxonomy = true + cat_official_taxonomy = true // Skip CONCOCT due to timeout issues - skip_concoct = true + skip_concoct = true } From 55481833b9436e2938f7bc493c699a78a07878c7 Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Tue, 8 Oct 2024 13:28:04 +0000 Subject: [PATCH 13/70] Template update for nf-core/tools version 3.0.0 --- .editorconfig | 4 + .github/CONTRIBUTING.md | 10 +- .github/PULL_REQUEST_TEMPLATE.md | 2 +- .github/workflows/awsfulltest.yml | 23 +- .github/workflows/ci.yml | 17 +- .github/workflows/download_pipeline.yml | 53 ++- .github/workflows/linting.yml | 23 +- .github/workflows/linting_comment.yml | 2 +- .github/workflows/release-announcements.yml | 2 +- .../workflows/template_version_comment.yml | 43 ++ .gitpod.yml | 7 +- .nf-core.yml | 23 +- .pre-commit-config.yaml | 2 +- .prettierignore | 1 + CHANGELOG.md | 2 +- CITATIONS.md | 4 +- LICENSE | 2 +- README.md | 7 +- assets/schema_input.json | 2 +- conf/base.config | 34 +- conf/igenomes_ignored.config | 9 + conf/modules.config | 1 - conf/test.config | 13 +- docs/images/mqc_fastqc_adapter.png | Bin 23458 -> 0 bytes docs/images/mqc_fastqc_counts.png | Bin 33918 -> 0 bytes docs/images/mqc_fastqc_quality.png | Bin 55769 -> 0 bytes docs/output.md | 11 +- docs/usage.md | 12 +- main.nf | 10 +- modules.json | 12 +- modules/nf-core/fastqc/environment.yml | 2 - modules/nf-core/fastqc/main.nf | 5 +- modules/nf-core/fastqc/meta.yml | 57 +-- modules/nf-core/fastqc/tests/main.nf.test | 225 ++++++++--- .../nf-core/fastqc/tests/main.nf.test.snap | 370 ++++++++++++++++-- modules/nf-core/multiqc/environment.yml | 4 +- modules/nf-core/multiqc/main.nf | 14 +- modules/nf-core/multiqc/meta.yml | 78 ++-- modules/nf-core/multiqc/tests/main.nf.test | 8 + .../nf-core/multiqc/tests/main.nf.test.snap | 20 +- modules/nf-core/multiqc/tests/nextflow.config | 5 + nextflow.config | 150 ++++--- nextflow_schema.json | 85 +--- .../local/utils_nfcore_mag_pipeline/main.nf | 56 +-- .../nf-core/utils_nextflow_pipeline/main.nf | 24 +- .../tests/nextflow.config | 2 +- .../nf-core/utils_nfcore_pipeline/main.nf | 45 ++- .../nf-core/utils_nfschema_plugin/main.nf | 46 +++ .../nf-core/utils_nfschema_plugin/meta.yml | 35 ++ .../utils_nfschema_plugin/tests/main.nf.test | 117 ++++++ .../tests/nextflow.config | 8 + .../tests/nextflow_schema.json | 8 +- .../nf-core/utils_nfvalidation_plugin/main.nf | 62 --- .../utils_nfvalidation_plugin/meta.yml | 44 --- .../tests/main.nf.test | 200 ---------- .../utils_nfvalidation_plugin/tests/tags.yml | 2 - workflows/mag.nf | 23 +- 57 files changed, 1215 insertions(+), 811 deletions(-) create mode 100644 .github/workflows/template_version_comment.yml create mode 100644 conf/igenomes_ignored.config delete mode 100755 docs/images/mqc_fastqc_adapter.png delete mode 100755 docs/images/mqc_fastqc_counts.png delete mode 100755 docs/images/mqc_fastqc_quality.png create mode 100644 modules/nf-core/multiqc/tests/nextflow.config create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/main.nf create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/meta.yml create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test create mode 100644 subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config rename subworkflows/nf-core/{utils_nfvalidation_plugin => utils_nfschema_plugin}/tests/nextflow_schema.json (95%) delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/main.nf delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test delete mode 100644 subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml diff --git a/.editorconfig b/.editorconfig index 72dda289..e1058815 100644 --- a/.editorconfig +++ b/.editorconfig @@ -11,6 +11,7 @@ indent_style = space [*.{md,yml,yaml,html,css,scss,js}] indent_size = 2 + # These files are edited and tested upstream in nf-core/modules [/modules/nf-core/**] charset = unset @@ -25,9 +26,12 @@ insert_final_newline = unset trim_trailing_whitespace = unset indent_style = unset + + [/assets/email*] indent_size = unset + # ignore python and markdown [*.{py,md}] indent_style = unset diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index f9393180..d80d6f5d 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -19,7 +19,7 @@ If you'd like to write some code for nf-core/mag, the standard workflow is as fo 1. Check that there isn't already an issue about your idea in the [nf-core/mag issues](https://github.com/nf-core/mag/issues) to avoid duplicating work. If there isn't one already, please create one so that others know you're working on this 2. [Fork](https://help.github.com/en/github/getting-started-with-github/fork-a-repo) the [nf-core/mag repository](https://github.com/nf-core/mag) to your GitHub account 3. Make the necessary changes / additions within your forked repository following [Pipeline conventions](#pipeline-contribution-conventions) -4. Use `nf-core schema build` and add any new parameters to the pipeline JSON schema (requires [nf-core tools](https://github.com/nf-core/tools) >= 1.10). +4. Use `nf-core pipelines schema build` and add any new parameters to the pipeline JSON schema (requires [nf-core tools](https://github.com/nf-core/tools) >= 1.10). 5. Submit a Pull Request against the `dev` branch and wait for the code to be reviewed and merged If you're not used to this workflow with git, you can start with some [docs from GitHub](https://help.github.com/en/github/collaborating-with-issues-and-pull-requests) or even their [excellent `git` resources](https://try.github.io/). @@ -40,7 +40,7 @@ There are typically two types of tests that run: ### Lint tests `nf-core` has a [set of guidelines](https://nf-co.re/developers/guidelines) which all pipelines must adhere to. -To enforce these and ensure that all pipelines stay in sync, we have developed a helper tool which runs checks on the pipeline code. This is in the [nf-core/tools repository](https://github.com/nf-core/tools) and once installed can be run locally with the `nf-core lint ` command. +To enforce these and ensure that all pipelines stay in sync, we have developed a helper tool which runs checks on the pipeline code. This is in the [nf-core/tools repository](https://github.com/nf-core/tools) and once installed can be run locally with the `nf-core pipelines lint ` command. If any failures or warnings are encountered, please follow the listed URL for more documentation. @@ -75,7 +75,7 @@ If you wish to contribute a new step, please use the following coding standards: 2. Write the process block (see below). 3. Define the output channel if needed (see below). 4. Add any new parameters to `nextflow.config` with a default (see below). -5. Add any new parameters to `nextflow_schema.json` with help text (via the `nf-core schema build` tool). +5. Add any new parameters to `nextflow_schema.json` with help text (via the `nf-core pipelines schema build` tool). 6. Add sanity checks and validation for all relevant parameters. 7. Perform local tests to validate that the new code works as expected. 8. If applicable, add a new test command in `.github/workflow/ci.yml`. @@ -86,7 +86,7 @@ If you wish to contribute a new step, please use the following coding standards: Parameters should be initialised / defined with default values in `nextflow.config` under the `params` scope. -Once there, use `nf-core schema build` to add to `nextflow_schema.json`. +Once there, use `nf-core pipelines schema build` to add to `nextflow_schema.json`. ### Default processes resource requirements @@ -103,7 +103,7 @@ Please use the following naming schemes, to make it easy to understand what is g ### Nextflow version bumping -If you are using a new feature from core Nextflow, you may bump the minimum required version of nextflow in the pipeline with: `nf-core bump-version --nextflow . [min-nf-version]` +If you are using a new feature from core Nextflow, you may bump the minimum required version of nextflow in the pipeline with: `nf-core pipelines bump-version --nextflow . [min-nf-version]` ### Images and figures diff --git a/.github/PULL_REQUEST_TEMPLATE.md b/.github/PULL_REQUEST_TEMPLATE.md index 459141ac..e44a93d1 100644 --- a/.github/PULL_REQUEST_TEMPLATE.md +++ b/.github/PULL_REQUEST_TEMPLATE.md @@ -17,7 +17,7 @@ Learn more about contributing: [CONTRIBUTING.md](https://github.com/nf-core/mag/ - [ ] If you've fixed a bug or added code that should be tested, add tests! - [ ] If you've added a new tool - have you followed the pipeline conventions in the [contribution docs](https://github.com/nf-core/mag/tree/master/.github/CONTRIBUTING.md) - [ ] If necessary, also make a PR on the nf-core/mag _branch_ on the [nf-core/test-datasets](https://github.com/nf-core/test-datasets) repository. -- [ ] Make sure your code lints (`nf-core lint`). +- [ ] Make sure your code lints (`nf-core pipelines lint`). - [ ] Ensure the test suite passes (`nextflow run . -profile test,docker --outdir `). - [ ] Check for unexpected warnings in debug mode (`nextflow run . -profile debug,test,docker --outdir `). - [ ] Usage Documentation in `docs/usage.md` is updated. diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index 1d9f93ee..8337de9e 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -1,18 +1,33 @@ name: nf-core AWS full size tests -# This workflow is triggered on published releases. +# This workflow is triggered on PRs opened against the master branch. # It can be additionally triggered manually with GitHub actions workflow dispatch button. # It runs the -profile 'test_full' on AWS batch on: - release: - types: [published] + pull_request: + branches: + - master workflow_dispatch: + pull_request_review: + types: [submitted] + jobs: run-platform: name: Run AWS full tests - if: github.repository == 'nf-core/mag' + if: github.repository == 'nf-core/mag' && github.event.review.state == 'approved' runs-on: ubuntu-latest steps: + - uses: octokit/request-action@v2.x + id: check_approvals + with: + route: GET /repos/${{ github.repository }}/pulls/${{ github.event.review.number }}/reviews + env: + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + - id: test_variables + run: | + JSON_RESPONSE='${{ steps.check_approvals.outputs.data }}' + CURRENT_APPROVALS_COUNT=$(echo $JSON_RESPONSE | jq -c '[.[] | select(.state | contains("APPROVED")) ] | length') + test $CURRENT_APPROVALS_COUNT -ge 2 || exit 1 # At least 2 approvals are required - name: Launch workflow via Seqera Platform uses: seqeralabs/action-tower-launch@v2 # TODO nf-core: You can customise AWS full pipeline tests as required diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index e4f12d61..3e6ab14d 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -7,6 +7,7 @@ on: pull_request: release: types: [published] + workflow_dispatch: env: NXF_ANSI_LOG: false @@ -24,7 +25,7 @@ jobs: strategy: matrix: NXF_VER: - - "23.04.0" + - "24.04.2" - "latest-everything" steps: - name: Check out pipeline code @@ -38,9 +39,21 @@ jobs: - name: Disk space cleanup uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - name: Run pipeline with test data + - name: Run pipeline with test data (docker) # TODO nf-core: You can customise CI pipeline run tests as required # For example: adding multiple test runs with different parameters # Remember that you can parallelise this by using strategy.matrix run: | nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results + + - name: Run pipeline with test data (singularity) + # TODO nf-core: You can customise CI pipeline run tests as required + run: | + nextflow run ${GITHUB_WORKSPACE} -profile test,singularity --outdir ./results + if: "${{ github.base_ref == 'master' }}" + + - name: Run pipeline with test data (conda) + # TODO nf-core: You can customise CI pipeline run tests as required + run: | + nextflow run ${GITHUB_WORKSPACE} -profile test,conda --outdir ./results + if: "${{ github.base_ref == 'master' }}" diff --git a/.github/workflows/download_pipeline.yml b/.github/workflows/download_pipeline.yml index 2d20d644..713dc3e7 100644 --- a/.github/workflows/download_pipeline.yml +++ b/.github/workflows/download_pipeline.yml @@ -1,4 +1,4 @@ -name: Test successful pipeline download with 'nf-core download' +name: Test successful pipeline download with 'nf-core pipelines download' # Run the workflow when: # - dispatched manually @@ -8,7 +8,7 @@ on: workflow_dispatch: inputs: testbranch: - description: "The specific branch you wish to utilize for the test execution of nf-core download." + description: "The specific branch you wish to utilize for the test execution of nf-core pipelines download." required: true default: "dev" pull_request: @@ -39,9 +39,11 @@ jobs: with: python-version: "3.12" architecture: "x64" - - uses: eWaterCycle/setup-singularity@931d4e31109e875b13309ae1d07c70ca8fbc8537 # v7 + + - name: Setup Apptainer + uses: eWaterCycle/setup-apptainer@4bb22c52d4f63406c49e94c804632975787312b3 # v2.0.0 with: - singularity-version: 3.8.3 + apptainer-version: 1.3.4 - name: Install dependencies run: | @@ -54,33 +56,64 @@ jobs: echo "REPOTITLE_LOWERCASE=$(basename ${GITHUB_REPOSITORY,,})" >> ${GITHUB_ENV} echo "REPO_BRANCH=${{ github.event.inputs.testbranch || 'dev' }}" >> ${GITHUB_ENV} + - name: Make a cache directory for the container images + run: | + mkdir -p ./singularity_container_images + - name: Download the pipeline env: - NXF_SINGULARITY_CACHEDIR: ./ + NXF_SINGULARITY_CACHEDIR: ./singularity_container_images run: | - nf-core download ${{ env.REPO_LOWERCASE }} \ + nf-core pipelines download ${{ env.REPO_LOWERCASE }} \ --revision ${{ env.REPO_BRANCH }} \ --outdir ./${{ env.REPOTITLE_LOWERCASE }} \ --compress "none" \ --container-system 'singularity' \ - --container-library "quay.io" -l "docker.io" -l "ghcr.io" \ + --container-library "quay.io" -l "docker.io" -l "community.wave.seqera.io" \ --container-cache-utilisation 'amend' \ - --download-configuration + --download-configuration 'yes' - name: Inspect download run: tree ./${{ env.REPOTITLE_LOWERCASE }} + - name: Count the downloaded number of container images + id: count_initial + run: | + image_count=$(ls -1 ./singularity_container_images | wc -l | xargs) + echo "Initial container image count: $image_count" + echo "IMAGE_COUNT_INITIAL=$image_count" >> ${GITHUB_ENV} + - name: Run the downloaded pipeline (stub) id: stub_run_pipeline continue-on-error: true env: - NXF_SINGULARITY_CACHEDIR: ./ + NXF_SINGULARITY_CACHEDIR: ./singularity_container_images NXF_SINGULARITY_HOME_MOUNT: true run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -stub -profile test,singularity --outdir ./results - name: Run the downloaded pipeline (stub run not supported) id: run_pipeline if: ${{ job.steps.stub_run_pipeline.status == failure() }} env: - NXF_SINGULARITY_CACHEDIR: ./ + NXF_SINGULARITY_CACHEDIR: ./singularity_container_images NXF_SINGULARITY_HOME_MOUNT: true run: nextflow run ./${{ env.REPOTITLE_LOWERCASE }}/$( sed 's/\W/_/g' <<< ${{ env.REPO_BRANCH }}) -profile test,singularity --outdir ./results + + - name: Count the downloaded number of container images + id: count_afterwards + run: | + image_count=$(ls -1 ./singularity_container_images | wc -l | xargs) + echo "Post-pipeline run container image count: $image_count" + echo "IMAGE_COUNT_AFTER=$image_count" >> ${GITHUB_ENV} + + - name: Compare container image counts + run: | + if [ "${{ env.IMAGE_COUNT_INITIAL }}" -ne "${{ env.IMAGE_COUNT_AFTER }}" ]; then + initial_count=${{ env.IMAGE_COUNT_INITIAL }} + final_count=${{ env.IMAGE_COUNT_AFTER }} + difference=$((final_count - initial_count)) + echo "$difference additional container images were \n downloaded at runtime . The pipeline has no support for offline runs!" + tree ./singularity_container_images + exit 1 + else + echo "The pipeline can be downloaded successfully!" + fi diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index 1fcafe88..b882838a 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -1,6 +1,6 @@ name: nf-core linting # This workflow is triggered on pushes and PRs to the repository. -# It runs the `nf-core lint` and markdown lint tests to ensure +# It runs the `nf-core pipelines lint` and markdown lint tests to ensure # that the code meets the nf-core guidelines. on: push: @@ -41,17 +41,32 @@ jobs: python-version: "3.12" architecture: "x64" + - name: read .nf-core.yml + uses: pietrobolcato/action-read-yaml@1.0.0 + id: read_yml + with: + config: ${{ github.workspace }}/.nf-core.yaml + - name: Install dependencies run: | python -m pip install --upgrade pip - pip install nf-core + pip install nf-core==${{ steps.read_yml.outputs['nf_core_version'] }} + + - name: Run nf-core pipelines lint + if: ${{ github.base_ref != 'master' }} + env: + GITHUB_COMMENTS_URL: ${{ github.event.pull_request.comments_url }} + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + GITHUB_PR_COMMIT: ${{ github.event.pull_request.head.sha }} + run: nf-core -l lint_log.txt pipelines lint --dir ${GITHUB_WORKSPACE} --markdown lint_results.md - - name: Run nf-core lint + - name: Run nf-core pipelines lint --release + if: ${{ github.base_ref == 'master' }} env: GITHUB_COMMENTS_URL: ${{ github.event.pull_request.comments_url }} GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} GITHUB_PR_COMMIT: ${{ github.event.pull_request.head.sha }} - run: nf-core -l lint_log.txt lint --dir ${GITHUB_WORKSPACE} --markdown lint_results.md + run: nf-core -l lint_log.txt pipelines lint --release --dir ${GITHUB_WORKSPACE} --markdown lint_results.md - name: Save PR number if: ${{ always() }} diff --git a/.github/workflows/linting_comment.yml b/.github/workflows/linting_comment.yml index 40acc23f..42e519bf 100644 --- a/.github/workflows/linting_comment.yml +++ b/.github/workflows/linting_comment.yml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Download lint results - uses: dawidd6/action-download-artifact@09f2f74827fd3a8607589e5ad7f9398816f540fe # v3 + uses: dawidd6/action-download-artifact@bf251b5aa9c2f7eeb574a96ee720e24f801b7c11 # v6 with: workflow: linting.yml workflow_conclusion: completed diff --git a/.github/workflows/release-announcements.yml b/.github/workflows/release-announcements.yml index 03ecfcf7..c6ba35df 100644 --- a/.github/workflows/release-announcements.yml +++ b/.github/workflows/release-announcements.yml @@ -12,7 +12,7 @@ jobs: - name: get topics and convert to hashtags id: get_topics run: | - echo "topics=$(curl -s https://nf-co.re/pipelines.json | jq -r '.remote_workflows[] | select(.full_name == "${{ github.repository }}") | .topics[]' | awk '{print "#"$0}' | tr '\n' ' ')" >> $GITHUB_OUTPUT + echo "topics=$(curl -s https://nf-co.re/pipelines.json | jq -r '.remote_workflows[] | select(.full_name == "${{ github.repository }}") | .topics[]' | awk '{print "#"$0}' | tr '\n' ' ')" | sed 's/-//g' >> $GITHUB_OUTPUT - uses: rzr/fediverse-action@master with: diff --git a/.github/workflows/template_version_comment.yml b/.github/workflows/template_version_comment.yml new file mode 100644 index 00000000..9dea41f0 --- /dev/null +++ b/.github/workflows/template_version_comment.yml @@ -0,0 +1,43 @@ +name: nf-core template version comment +# This workflow is triggered on PRs to check if the pipeline template version matches the latest nf-core version. +# It posts a comment to the PR, even if it comes from a fork. + +on: pull_request_target + +jobs: + template_version: + runs-on: ubuntu-latest + steps: + - name: Check out pipeline code + uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + + - name: Read template version from .nf-core.yml + uses: pietrobolcato/action-read-yaml@1.0.0 + id: read_yml + with: + config: ${{ github.workspace }}/.nf-core.yml + + - name: Install nf-core + run: | + python -m pip install --upgrade pip + pip install nf-core==${{ steps.read_yml.outputs['nf_core_version'] }} + + - name: Check nf-core outdated + id: nf_core_outdated + run: pip list --outdated | grep nf-core + + - name: Post nf-core template version comment + uses: mshick/add-pr-comment@b8f338c590a895d50bcbfa6c5859251edc8952fc # v2 + if: | + ${{ steps.nf_core_outdated.outputs.stdout }} =~ 'nf-core' + with: + repo-token: ${{ secrets.NF_CORE_BOT_AUTH_TOKEN }} + allow-repeats: false + message: | + ## :warning: Newer version of the nf-core template is available. + + Your pipeline is using an old version of the nf-core template: ${{ steps.read_yml.outputs['nf_core_version'] }}. + Please update your pipeline to the latest version. + + For more documentation on how to update your pipeline, please see the [nf-core documentation](https://github.com/nf-core/tools?tab=readme-ov-file#sync-a-pipeline-with-the-template) and [Synchronisation documentation](https://nf-co.re/docs/contributing/sync). + # diff --git a/.gitpod.yml b/.gitpod.yml index 105a1821..46118637 100644 --- a/.gitpod.yml +++ b/.gitpod.yml @@ -4,17 +4,14 @@ tasks: command: | pre-commit install --install-hooks nextflow self-update - - name: unset JAVA_TOOL_OPTIONS - command: | - unset JAVA_TOOL_OPTIONS vscode: extensions: # based on nf-core.nf-core-extensionpack - - esbenp.prettier-vscode # Markdown/CommonMark linting and style checking for Visual Studio Code + #- esbenp.prettier-vscode # Markdown/CommonMark linting and style checking for Visual Studio Code - EditorConfig.EditorConfig # override user/workspace settings with settings found in .editorconfig files - Gruntfuggly.todo-tree # Display TODO and FIXME in a tree view in the activity bar - mechatroner.rainbow-csv # Highlight columns in csv files in different colors - # - nextflow.nextflow # Nextflow syntax highlighting + - nextflow.nextflow # Nextflow syntax highlighting - oderwat.indent-rainbow # Highlight indentation level - streetsidesoftware.code-spell-checker # Spelling checker for source code - charliermarsh.ruff # Code linter Ruff diff --git a/.nf-core.yml b/.nf-core.yml index e0b85a77..c1a90308 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -1,2 +1,23 @@ +bump_version: null +lint: + files_unchanged: + - lib/NfcoreTemplate.groovy + nextflow_config: + - config_defaults: + - params.phix_reference + - params.lambda_reference +nf_core_version: 3.0.0 +org_path: null repository_type: pipeline -nf_core_version: "2.14.1" +template: + author: "Hadrien Gourl\xE9, Daniel Straub, Sabrina Krakau, James A. Fellows Yates,\ + \ Maxime Borry" + description: Assembly, binning and annotation of metagenomes + force: false + is_nfcore: true + name: mag + org: nf-core + outdir: . + skip_features: null + version: 3.1.1dev +update: null diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 4dc0f1dc..9e9f0e1c 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -7,7 +7,7 @@ repos: - prettier@3.2.5 - repo: https://github.com/editorconfig-checker/editorconfig-checker.python - rev: "2.7.3" + rev: "3.0.3" hooks: - id: editorconfig-checker alias: ec diff --git a/.prettierignore b/.prettierignore index 437d763d..610e5069 100644 --- a/.prettierignore +++ b/.prettierignore @@ -1,3 +1,4 @@ + email_template.html adaptivecard.json slackreport.json diff --git a/CHANGELOG.md b/CHANGELOG.md index d3b56b3c..6d4243a4 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## v2.5.5dev - [date] +## v3.1.1dev - [date] Initial release of nf-core/mag, created with the [nf-core](https://nf-co.re/) template. diff --git a/CITATIONS.md b/CITATIONS.md index 0e8ba8c7..0b6c25b1 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -12,11 +12,11 @@ - [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) - > Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. +> Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. - [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/) - > Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924. +> Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924. ## Software packaging/containerisation tools diff --git a/LICENSE b/LICENSE index fa60ad5d..d90d555c 100644 --- a/LICENSE +++ b/LICENSE @@ -1,6 +1,6 @@ MIT License -Copyright (c) Hadrien Gourlé, Daniel Straub, Sabrina Krakau +Copyright (c) Hadrien Gourlé, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, Maxime Borry Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal diff --git a/README.md b/README.md index 74dc2232..b1f300d1 100644 --- a/README.md +++ b/README.md @@ -9,7 +9,7 @@ [![GitHub Actions Linting Status](https://github.com/nf-core/mag/actions/workflows/linting.yml/badge.svg)](https://github.com/nf-core/mag/actions/workflows/linting.yml)[![AWS CI](https://img.shields.io/badge/CI%20tests-full%20size-FF9900?labelColor=000000&logo=Amazon%20AWS)](https://nf-co.re/mag/results)[![Cite with Zenodo](http://img.shields.io/badge/DOI-10.5281/zenodo.XXXXXXX-1073c8?labelColor=000000)](https://doi.org/10.5281/zenodo.XXXXXXX) [![nf-test](https://img.shields.io/badge/unit_tests-nf--test-337ab7.svg)](https://www.nf-test.com) -[![Nextflow](https://img.shields.io/badge/nextflow%20DSL2-%E2%89%A523.04.0-23aa62.svg)](https://www.nextflow.io/) +[![Nextflow](https://img.shields.io/badge/nextflow%20DSL2-%E2%89%A524.04.2-23aa62.svg)](https://www.nextflow.io/) [![run with conda](http://img.shields.io/badge/run%20with-conda-3EB049?labelColor=000000&logo=anaconda)](https://docs.conda.io/en/latest/) [![run with docker](https://img.shields.io/badge/run%20with-docker-0db7ed?labelColor=000000&logo=docker)](https://www.docker.com/) [![run with singularity](https://img.shields.io/badge/run%20with-singularity-1d355c.svg?labelColor=000000)](https://sylabs.io/docs/) @@ -67,8 +67,7 @@ nextflow run nf-core/mag \ ``` > [!WARNING] -> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; -> see [docs](https://nf-co.re/usage/configuration#custom-configuration-files). +> Please provide pipeline parameters via the CLI or Nextflow `-params-file` option. Custom config files including those provided by the `-c` Nextflow option can be used to provide any configuration _**except for parameters**_; see [docs](https://nf-co.re/docs/usage/getting_started/configuration#custom-configuration-files). For more details and further functionality, please refer to the [usage documentation](https://nf-co.re/mag/usage) and the [parameter documentation](https://nf-co.re/mag/parameters). @@ -80,7 +79,7 @@ For more details about the output files and reports, please refer to the ## Credits -nf-core/mag was originally written by Hadrien Gourlé, Daniel Straub, Sabrina Krakau. +nf-core/mag was originally written by Hadrien Gourlé, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, Maxime Borry. We thank the following people for their extensive assistance in the development of this pipeline: diff --git a/assets/schema_input.json b/assets/schema_input.json index 6f443034..9485ea88 100644 --- a/assets/schema_input.json +++ b/assets/schema_input.json @@ -1,5 +1,5 @@ { - "$schema": "http://json-schema.org/draft-07/schema", + "$schema": "https://json-schema.org/draft/2020-12/schema", "$id": "https://raw.githubusercontent.com/nf-core/mag/master/assets/schema_input.json", "title": "nf-core/mag pipeline - params.input schema", "description": "Schema for the file provided with params.input", diff --git a/conf/base.config b/conf/base.config index f79b6074..de424b35 100644 --- a/conf/base.config +++ b/conf/base.config @@ -11,9 +11,9 @@ process { // TODO nf-core: Check the defaults for all processes - cpus = { check_max( 1 * task.attempt, 'cpus' ) } - memory = { check_max( 6.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + cpus = { 1 * task.attempt } + memory = { 6.GB * task.attempt } + time = { 4.h * task.attempt } errorStrategy = { task.exitStatus in ((130..145) + 104) ? 'retry' : 'finish' } maxRetries = 1 @@ -27,30 +27,30 @@ process { // TODO nf-core: Customise requirements for specific processes. // See https://www.nextflow.io/docs/latest/config.html#config-process-selectors withLabel:process_single { - cpus = { check_max( 1 , 'cpus' ) } - memory = { check_max( 6.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + cpus = { 1 } + memory = { 6.GB * task.attempt } + time = { 4.h * task.attempt } } withLabel:process_low { - cpus = { check_max( 2 * task.attempt, 'cpus' ) } - memory = { check_max( 12.GB * task.attempt, 'memory' ) } - time = { check_max( 4.h * task.attempt, 'time' ) } + cpus = { 2 * task.attempt } + memory = { 12.GB * task.attempt } + time = { 4.h * task.attempt } } withLabel:process_medium { - cpus = { check_max( 6 * task.attempt, 'cpus' ) } - memory = { check_max( 36.GB * task.attempt, 'memory' ) } - time = { check_max( 8.h * task.attempt, 'time' ) } + cpus = { 6 * task.attempt } + memory = { 36.GB * task.attempt } + time = { 8.h * task.attempt } } withLabel:process_high { - cpus = { check_max( 12 * task.attempt, 'cpus' ) } - memory = { check_max( 72.GB * task.attempt, 'memory' ) } - time = { check_max( 16.h * task.attempt, 'time' ) } + cpus = { 12 * task.attempt } + memory = { 72.GB * task.attempt } + time = { 16.h * task.attempt } } withLabel:process_long { - time = { check_max( 20.h * task.attempt, 'time' ) } + time = { 20.h * task.attempt } } withLabel:process_high_memory { - memory = { check_max( 200.GB * task.attempt, 'memory' ) } + memory = { 200.GB * task.attempt } } withLabel:error_ignore { errorStrategy = 'ignore' diff --git a/conf/igenomes_ignored.config b/conf/igenomes_ignored.config new file mode 100644 index 00000000..b4034d82 --- /dev/null +++ b/conf/igenomes_ignored.config @@ -0,0 +1,9 @@ +/* +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Nextflow config file for iGenomes paths +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + Empty genomes dictionary to use when igenomes is ignored. +---------------------------------------------------------------------------------------- +*/ + +params.genomes = [:] diff --git a/conf/modules.config b/conf/modules.config index d203d2b6..d266a387 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -21,7 +21,6 @@ process { withName: FASTQC { ext.args = '--quiet' } - withName: 'MULTIQC' { ext.args = { params.multiqc_title ? "--title \"$params.multiqc_title\"" : '' } publishDir = [ diff --git a/conf/test.config b/conf/test.config index 126f2841..24ad5b38 100644 --- a/conf/test.config +++ b/conf/test.config @@ -10,15 +10,18 @@ ---------------------------------------------------------------------------------------- */ +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} + params { config_profile_name = 'Test profile' config_profile_description = 'Minimal test dataset to check pipeline function' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data // TODO nf-core: Specify the paths to your test data on nf-core/test-datasets // TODO nf-core: Give any required params for the test so that command line flags are not needed diff --git a/docs/images/mqc_fastqc_adapter.png b/docs/images/mqc_fastqc_adapter.png deleted file mode 100755 index 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zXwhtT%ei{n#FzEH|C;yZ>+$!u_x#*+`=L8{b9SH^9&27u3G_Gxqxe`L2UJtdxghk z&-wzDFvLvW{chK5u3{n6GSKKy!P&C6w^IFpbD0bcp^A{{2lcLh_DXj@ybtYvc^;(2 M)78&qol`;+0Fu7JivR!s diff --git a/docs/output.md b/docs/output.md index fb3133ee..2e874edf 100644 --- a/docs/output.md +++ b/docs/output.md @@ -14,6 +14,7 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - [FastQC](#fastqc) - Raw read QC - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline + - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution ### FastQC @@ -29,16 +30,6 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d [FastQC](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/) gives general quality metrics about your sequenced reads. It provides information about the quality score distribution across your reads, per base sequence content (%A/T/G/C), adapter contamination and overrepresented sequences. For further reading and documentation see the [FastQC help pages](http://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/). -![MultiQC - FastQC sequence counts plot](images/mqc_fastqc_counts.png) - -![MultiQC - FastQC mean quality scores plot](images/mqc_fastqc_quality.png) - -![MultiQC - FastQC adapter content plot](images/mqc_fastqc_adapter.png) - -:::note -The FastQC plots displayed in the MultiQC report shows _untrimmed_ reads. They may contain adapter sequence and potentially regions with low quality. -::: - ### MultiQC
diff --git a/docs/usage.md b/docs/usage.md index f90d0b16..bde39445 100644 --- a/docs/usage.md +++ b/docs/usage.md @@ -85,9 +85,9 @@ The above pipeline run specified with a params file in yaml format: nextflow run nf-core/mag -profile docker -params-file params.yaml ``` -with `params.yaml` containing: +with: -```yaml +```yaml title="params.yaml" input: './samplesheet.csv' outdir: './results/' genome: 'GRCh37' @@ -199,14 +199,6 @@ See the main [Nextflow documentation](https://www.nextflow.io/docs/latest/config If you have any questions or issues please send us a message on [Slack](https://nf-co.re/join/slack) on the [`#configs` channel](https://nfcore.slack.com/channels/configs). -## Azure Resource Requests - -To be used with the `azurebatch` profile by specifying the `-profile azurebatch`. -We recommend providing a compute `params.vm_type` of `Standard_D16_v3` VMs by default but these options can be changed if required. - -Note that the choice of VM size depends on your quota and the overall workload during the analysis. -For a thorough list, please refer the [Azure Sizes for virtual machines in Azure](https://docs.microsoft.com/en-us/azure/virtual-machines/sizes). - ## Running in the background Nextflow handles job submissions and supervises the running jobs. The Nextflow process must run until the pipeline is finished. diff --git a/main.nf b/main.nf index 2c326431..730f8f3d 100644 --- a/main.nf +++ b/main.nf @@ -9,8 +9,6 @@ ---------------------------------------------------------------------------------------- */ -nextflow.enable.dsl = 2 - /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ IMPORT FUNCTIONS / MODULES / SUBWORKFLOWS / WORKFLOWS @@ -20,7 +18,6 @@ nextflow.enable.dsl = 2 include { MAG } from './workflows/mag' include { PIPELINE_INITIALISATION } from './subworkflows/local/utils_nfcore_mag_pipeline' include { PIPELINE_COMPLETION } from './subworkflows/local/utils_nfcore_mag_pipeline' - include { getGenomeAttribute } from './subworkflows/local/utils_nfcore_mag_pipeline' /* @@ -56,10 +53,8 @@ workflow NFCORE_MAG { MAG ( samplesheet ) - emit: multiqc_report = MAG.out.multiqc_report // channel: /path/to/multiqc_report.html - } /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -70,27 +65,24 @@ workflow NFCORE_MAG { workflow { main: - // // SUBWORKFLOW: Run initialisation tasks // PIPELINE_INITIALISATION ( params.version, - params.help, params.validate_params, params.monochrome_logs, args, params.outdir, params.input ) - + // // WORKFLOW: Run main workflow // NFCORE_MAG ( PIPELINE_INITIALISATION.out.samplesheet ) - // // SUBWORKFLOW: Run completion tasks // diff --git a/modules.json b/modules.json index 39ca091e..437ae06f 100644 --- a/modules.json +++ b/modules.json @@ -7,12 +7,12 @@ "nf-core": { "fastqc": { "branch": "master", - "git_sha": "285a50500f9e02578d90b3ce6382ea3c30216acd", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", "installed_by": ["modules"] }, "multiqc": { "branch": "master", - "git_sha": "b7ebe95761cd389603f9cc0e0dc384c0f663815a", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", "installed_by": ["modules"] } } @@ -21,17 +21,17 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", + "git_sha": "d20fb2a9cc3e2835e9d067d1046a63252eb17352", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "92de218a329bfc9a9033116eb5f65fd270e72ba3", + "git_sha": "2fdce49d30c0254f76bc0f13c55c17455c1251ab", "installed_by": ["subworkflows"] }, - "utils_nfvalidation_plugin": { + "utils_nfschema_plugin": { "branch": "master", - "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", + "git_sha": "bbd5a41f4535a8defafe6080e00ea74c45f4f96c", "installed_by": ["subworkflows"] } } diff --git a/modules/nf-core/fastqc/environment.yml b/modules/nf-core/fastqc/environment.yml index 1787b38a..691d4c76 100644 --- a/modules/nf-core/fastqc/environment.yml +++ b/modules/nf-core/fastqc/environment.yml @@ -1,7 +1,5 @@ -name: fastqc channels: - conda-forge - bioconda - - defaults dependencies: - bioconda::fastqc=0.12.1 diff --git a/modules/nf-core/fastqc/main.nf b/modules/nf-core/fastqc/main.nf index d79f1c86..d8989f48 100644 --- a/modules/nf-core/fastqc/main.nf +++ b/modules/nf-core/fastqc/main.nf @@ -26,7 +26,10 @@ process FASTQC { def rename_to = old_new_pairs*.join(' ').join(' ') def renamed_files = old_new_pairs.collect{ old_name, new_name -> new_name }.join(' ') - def memory_in_mb = MemoryUnit.of("${task.memory}").toUnit('MB') + // The total amount of allocated RAM by FastQC is equal to the number of threads defined (--threads) time the amount of RAM defined (--memory) + // https://github.com/s-andrews/FastQC/blob/1faeea0412093224d7f6a07f777fad60a5650795/fastqc#L211-L222 + // Dividing the task.memory by task.cpu allows to stick to requested amount of RAM in the label + def memory_in_mb = MemoryUnit.of("${task.memory}").toUnit('MB') / task.cpus // FastQC memory value allowed range (100 - 10000) def fastqc_memory = memory_in_mb > 10000 ? 10000 : (memory_in_mb < 100 ? 100 : memory_in_mb) diff --git a/modules/nf-core/fastqc/meta.yml b/modules/nf-core/fastqc/meta.yml index ee5507e0..4827da7a 100644 --- a/modules/nf-core/fastqc/meta.yml +++ b/modules/nf-core/fastqc/meta.yml @@ -16,35 +16,44 @@ tools: homepage: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/ documentation: https://www.bioinformatics.babraham.ac.uk/projects/fastqc/Help/ licence: ["GPL-2.0-only"] + identifier: biotools:fastqc input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - reads: - type: file - description: | - List of input FastQ files of size 1 and 2 for single-end and paired-end data, - respectively. + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - reads: + type: file + description: | + List of input FastQ files of size 1 and 2 for single-end and paired-end data, + respectively. output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - html: - type: file - description: FastQC report - pattern: "*_{fastqc.html}" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.html": + type: file + description: FastQC report + pattern: "*_{fastqc.html}" - zip: - type: file - description: FastQC report archive - pattern: "*_{fastqc.zip}" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.zip": + type: file + description: FastQC report archive + pattern: "*_{fastqc.zip}" - versions: - type: file - description: File containing software versions - pattern: "versions.yml" + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@drpatelh" - "@grst" diff --git a/modules/nf-core/fastqc/tests/main.nf.test b/modules/nf-core/fastqc/tests/main.nf.test index 70edae4d..e9d79a07 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test +++ b/modules/nf-core/fastqc/tests/main.nf.test @@ -23,17 +23,14 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - // NOTE The report contains the date inside it, which means that the md5sum is stable per day, but not longer than that. So you can't md5sum it. - // looks like this:
Mon 2 Oct 2023
test.gz
- // https://github.com/nf-core/modules/pull/3903#issuecomment-1743620039 - - { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_single") } + { assert process.success }, + // NOTE The report contains the date inside it, which means that the md5sum is stable per day, but not longer than that. So you can't md5sum it. + // looks like this:
Mon 2 Oct 2023
test.gz
+ // https://github.com/nf-core/modules/pull/3903#issuecomment-1743620039 + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -54,16 +51,14 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, - { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, - { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, - { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, - { assert path(process.out.html[0][1][0]).text.contains("File typeConventional base calls") }, - { assert path(process.out.html[0][1][1]).text.contains("File typeConventional base calls") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_paired") } + { assert process.success }, + { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, + { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, + { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, + { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, + { assert path(process.out.html[0][1][0]).text.contains("File typeConventional base calls") }, + { assert path(process.out.html[0][1][1]).text.contains("File typeConventional base calls") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -83,13 +78,11 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_interleaved") } + { assert process.success }, + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -109,13 +102,11 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_bam") } + { assert process.success }, + { assert process.out.html[0][1] ==~ ".*/test_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/test_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -138,22 +129,20 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, - { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, - { assert process.out.html[0][1][2] ==~ ".*/test_3_fastqc.html" }, - { assert process.out.html[0][1][3] ==~ ".*/test_4_fastqc.html" }, - { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, - { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, - { assert process.out.zip[0][1][2] ==~ ".*/test_3_fastqc.zip" }, - { assert process.out.zip[0][1][3] ==~ ".*/test_4_fastqc.zip" }, - { assert path(process.out.html[0][1][0]).text.contains("File typeConventional base calls") }, - { assert path(process.out.html[0][1][1]).text.contains("File typeConventional base calls") }, - { assert path(process.out.html[0][1][2]).text.contains("File typeConventional base calls") }, - { assert path(process.out.html[0][1][3]).text.contains("File typeConventional base calls") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_multiple") } + { assert process.success }, + { assert process.out.html[0][1][0] ==~ ".*/test_1_fastqc.html" }, + { assert process.out.html[0][1][1] ==~ ".*/test_2_fastqc.html" }, + { assert process.out.html[0][1][2] ==~ ".*/test_3_fastqc.html" }, + { assert process.out.html[0][1][3] ==~ ".*/test_4_fastqc.html" }, + { assert process.out.zip[0][1][0] ==~ ".*/test_1_fastqc.zip" }, + { assert process.out.zip[0][1][1] ==~ ".*/test_2_fastqc.zip" }, + { assert process.out.zip[0][1][2] ==~ ".*/test_3_fastqc.zip" }, + { assert process.out.zip[0][1][3] ==~ ".*/test_4_fastqc.zip" }, + { assert path(process.out.html[0][1][0]).text.contains("File typeConventional base calls") }, + { assert path(process.out.html[0][1][1]).text.contains("File typeConventional base calls") }, + { assert path(process.out.html[0][1][2]).text.contains("File typeConventional base calls") }, + { assert path(process.out.html[0][1][3]).text.contains("File typeConventional base calls") }, + { assert snapshot(process.out.versions).match() } ) } } @@ -173,21 +162,18 @@ nextflow_process { then { assertAll ( - { assert process.success }, - - { assert process.out.html[0][1] ==~ ".*/mysample_fastqc.html" }, - { assert process.out.zip[0][1] ==~ ".*/mysample_fastqc.zip" }, - { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, - - { assert snapshot(process.out.versions).match("fastqc_versions_custom_prefix") } + { assert process.success }, + { assert process.out.html[0][1] ==~ ".*/mysample_fastqc.html" }, + { assert process.out.zip[0][1] ==~ ".*/mysample_fastqc.zip" }, + { assert path(process.out.html[0][1]).text.contains("File typeConventional base calls") }, + { assert snapshot(process.out.versions).match() } ) } } test("sarscov2 single-end [fastq] - stub") { - options "-stub" - + options "-stub" when { process { """ @@ -201,12 +187,123 @@ nextflow_process { then { assertAll ( - { assert process.success }, - { assert snapshot(process.out.html.collect { file(it[1]).getName() } + - process.out.zip.collect { file(it[1]).getName() } + - process.out.versions ).match("fastqc_stub") } + { assert process.success }, + { assert snapshot(process.out).match() } ) } } + test("sarscov2 paired-end [fastq] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true) ] + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 interleaved [fastq] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_interleaved.fastq.gz', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 paired-end [bam] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/bam/test.paired_end.sorted.bam', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 multiple [fastq] - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [id: 'test', single_end: false], // meta map + [ file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_2.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_1.fastq.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test2_2.fastq.gz', checkIfExists: true) ] + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("sarscov2 custom_prefix - stub") { + + options "-stub" + when { + process { + """ + input[0] = Channel.of([ + [ id:'mysample', single_end:true ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/illumina/fastq/test_1.fastq.gz', checkIfExists: true) + ]) + """ + } + } + + then { + assertAll ( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } } diff --git a/modules/nf-core/fastqc/tests/main.nf.test.snap b/modules/nf-core/fastqc/tests/main.nf.test.snap index 86f7c311..d5db3092 100644 --- a/modules/nf-core/fastqc/tests/main.nf.test.snap +++ b/modules/nf-core/fastqc/tests/main.nf.test.snap @@ -1,88 +1,392 @@ { - "fastqc_versions_interleaved": { + "sarscov2 custom_prefix": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:40:07.293713" + "timestamp": "2024-07-22T11:02:16.374038" }, - "fastqc_stub": { + "sarscov2 single-end [fastq] - stub": { "content": [ - [ - "test.html", - "test.zip", - "versions.yml:md5,e1cc25ca8af856014824abd842e93978" - ] + { + "0": [ + [ + { + "id": "test", + "single_end": true + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": true + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": true + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": true + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:02:24.993809" + }, + "sarscov2 custom_prefix - stub": { + "content": [ + { + "0": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "mysample", + "single_end": true + }, + "mysample.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:31:01.425198" + "timestamp": "2024-07-22T11:03:10.93942" }, - "fastqc_versions_multiple": { + "sarscov2 interleaved [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:40:55.797907" + "timestamp": "2024-07-22T11:01:42.355718" }, - "fastqc_versions_bam": { + "sarscov2 paired-end [bam]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:40:26.795862" + "timestamp": "2024-07-22T11:01:53.276274" }, - "fastqc_versions_single": { + "sarscov2 multiple [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:39:27.043675" + "timestamp": "2024-07-22T11:02:05.527626" }, - "fastqc_versions_paired": { + "sarscov2 paired-end [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:01:31.188871" + }, + "sarscov2 paired-end [fastq] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:02:34.273566" + }, + "sarscov2 multiple [fastq] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:39:47.584191" + "timestamp": "2024-07-22T11:03:02.304411" }, - "fastqc_versions_custom_prefix": { + "sarscov2 single-end [fastq]": { "content": [ [ "versions.yml:md5,e1cc25ca8af856014824abd842e93978" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:01:19.095607" + }, + "sarscov2 interleaved [fastq] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" + }, + "timestamp": "2024-07-22T11:02:44.640184" + }, + "sarscov2 paired-end [bam] - stub": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "2": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "html": [ + [ + { + "id": "test", + "single_end": false + }, + "test.html:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ], + "versions": [ + "versions.yml:md5,e1cc25ca8af856014824abd842e93978" + ], + "zip": [ + [ + { + "id": "test", + "single_end": false + }, + "test.zip:md5,d41d8cd98f00b204e9800998ecf8427e" + ] + ] + } + ], + "meta": { + "nf-test": "0.9.0", + "nextflow": "24.04.3" }, - "timestamp": "2024-01-31T17:41:14.576531" + "timestamp": "2024-07-22T11:02:53.550742" } } \ No newline at end of file diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml index ca39fb67..f1cd99b0 100644 --- a/modules/nf-core/multiqc/environment.yml +++ b/modules/nf-core/multiqc/environment.yml @@ -1,7 +1,5 @@ -name: multiqc channels: - conda-forge - bioconda - - defaults dependencies: - - bioconda::multiqc=1.21 + - bioconda::multiqc=1.24.1 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 47ac352f..b9ccebdb 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -3,14 +3,16 @@ process MULTIQC { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.21--pyhdfd78af_0' : - 'biocontainers/multiqc:1.21--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.25--pyhdfd78af_0' : + 'biocontainers/multiqc:1.25--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" path(multiqc_config) path(extra_multiqc_config) path(multiqc_logo) + path(replace_names) + path(sample_names) output: path "*multiqc_report.html", emit: report @@ -23,16 +25,22 @@ process MULTIQC { script: def args = task.ext.args ?: '' + def prefix = task.ext.prefix ? "--filename ${task.ext.prefix}.html" : '' def config = multiqc_config ? "--config $multiqc_config" : '' def extra_config = extra_multiqc_config ? "--config $extra_multiqc_config" : '' - def logo = multiqc_logo ? /--cl-config 'custom_logo: "${multiqc_logo}"'/ : '' + def logo = multiqc_logo ? "--cl-config 'custom_logo: \"${multiqc_logo}\"'" : '' + def replace = replace_names ? "--replace-names ${replace_names}" : '' + def samples = sample_names ? "--sample-names ${sample_names}" : '' """ multiqc \\ --force \\ $args \\ $config \\ + $prefix \\ $extra_config \\ $logo \\ + $replace \\ + $samples \\ . cat <<-END_VERSIONS > versions.yml diff --git a/modules/nf-core/multiqc/meta.yml b/modules/nf-core/multiqc/meta.yml index 45a9bc35..b16c1879 100644 --- a/modules/nf-core/multiqc/meta.yml +++ b/modules/nf-core/multiqc/meta.yml @@ -1,5 +1,6 @@ name: multiqc -description: Aggregate results from bioinformatics analyses across many samples into a single report +description: Aggregate results from bioinformatics analyses across many samples into + a single report keywords: - QC - bioinformatics tools @@ -12,40 +13,59 @@ tools: homepage: https://multiqc.info/ documentation: https://multiqc.info/docs/ licence: ["GPL-3.0-or-later"] + identifier: biotools:multiqc input: - - multiqc_files: - type: file - description: | - List of reports / files recognised by MultiQC, for example the html and zip output of FastQC - - multiqc_config: - type: file - description: Optional config yml for MultiQC - pattern: "*.{yml,yaml}" - - extra_multiqc_config: - type: file - description: Second optional config yml for MultiQC. Will override common sections in multiqc_config. - pattern: "*.{yml,yaml}" - - multiqc_logo: - type: file - description: Optional logo file for MultiQC - pattern: "*.{png}" + - - multiqc_files: + type: file + description: | + List of reports / files recognised by MultiQC, for example the html and zip output of FastQC + - - multiqc_config: + type: file + description: Optional config yml for MultiQC + pattern: "*.{yml,yaml}" + - - extra_multiqc_config: + type: file + description: Second optional config yml for MultiQC. Will override common sections + in multiqc_config. + pattern: "*.{yml,yaml}" + - - multiqc_logo: + type: file + description: Optional logo file for MultiQC + pattern: "*.{png}" + - - replace_names: + type: file + description: | + Optional two-column sample renaming file. First column a set of + patterns, second column a set of corresponding replacements. Passed via + MultiQC's `--replace-names` option. + pattern: "*.{tsv}" + - - sample_names: + type: file + description: | + Optional TSV file with headers, passed to the MultiQC --sample_names + argument. + pattern: "*.{tsv}" output: - report: - type: file - description: MultiQC report file - pattern: "multiqc_report.html" + - "*multiqc_report.html": + type: file + description: MultiQC report file + pattern: "multiqc_report.html" - data: - type: directory - description: MultiQC data dir - pattern: "multiqc_data" + - "*_data": + type: directory + description: MultiQC data dir + pattern: "multiqc_data" - plots: - type: file - description: Plots created by MultiQC - pattern: "*_data" + - "*_plots": + type: file + description: Plots created by MultiQC + pattern: "*_data" - versions: - type: file - description: File containing software versions - pattern: "versions.yml" + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@abhi18av" - "@bunop" diff --git a/modules/nf-core/multiqc/tests/main.nf.test b/modules/nf-core/multiqc/tests/main.nf.test index f1c4242e..33316a7d 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test +++ b/modules/nf-core/multiqc/tests/main.nf.test @@ -8,6 +8,8 @@ nextflow_process { tag "modules_nfcore" tag "multiqc" + config "./nextflow.config" + test("sarscov2 single-end [fastqc]") { when { @@ -17,6 +19,8 @@ nextflow_process { input[1] = [] input[2] = [] input[3] = [] + input[4] = [] + input[5] = [] """ } } @@ -41,6 +45,8 @@ nextflow_process { input[1] = Channel.of(file("https://github.com/nf-core/tools/raw/dev/nf_core/pipeline-template/assets/multiqc_config.yml", checkIfExists: true)) input[2] = [] input[3] = [] + input[4] = [] + input[5] = [] """ } } @@ -66,6 +72,8 @@ nextflow_process { input[1] = [] input[2] = [] input[3] = [] + input[4] = [] + input[5] = [] """ } } diff --git a/modules/nf-core/multiqc/tests/main.nf.test.snap b/modules/nf-core/multiqc/tests/main.nf.test.snap index bfebd802..b779e469 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test.snap +++ b/modules/nf-core/multiqc/tests/main.nf.test.snap @@ -2,14 +2,14 @@ "multiqc_versions_single": { "content": [ [ - "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" + "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" ] ], "meta": { "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nextflow": "24.04.2" }, - "timestamp": "2024-02-29T08:48:55.657331" + "timestamp": "2024-07-10T12:41:34.562023" }, "multiqc_stub": { "content": [ @@ -17,25 +17,25 @@ "multiqc_report.html", "multiqc_data", "multiqc_plots", - "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" + "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" ] ], "meta": { "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nextflow": "24.04.2" }, - "timestamp": "2024-02-29T08:49:49.071937" + "timestamp": "2024-07-10T11:27:11.933869532" }, "multiqc_versions_config": { "content": [ [ - "versions.yml:md5,21f35ee29416b9b3073c28733efe4b7d" + "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" ] ], "meta": { "nf-test": "0.8.4", - "nextflow": "23.10.1" + "nextflow": "24.04.2" }, - "timestamp": "2024-02-29T08:49:25.457567" + "timestamp": "2024-07-10T11:26:56.709849369" } -} \ No newline at end of file +} diff --git a/modules/nf-core/multiqc/tests/nextflow.config b/modules/nf-core/multiqc/tests/nextflow.config new file mode 100644 index 00000000..c537a6a3 --- /dev/null +++ b/modules/nf-core/multiqc/tests/nextflow.config @@ -0,0 +1,5 @@ +process { + withName: 'MULTIQC' { + ext.prefix = null + } +} diff --git a/nextflow.config b/nextflow.config index d477d4e5..8c009460 100644 --- a/nextflow.config +++ b/nextflow.config @@ -16,7 +16,6 @@ params { genome = null igenomes_base = 's3://ngi-igenomes/igenomes/' igenomes_ignore = false - // MultiQC options multiqc_config = null multiqc_title = null @@ -33,48 +32,26 @@ params { monochrome_logs = false hook_url = null help = false + help_full = false + show_hidden = false version = false pipelines_testdata_base_path = 'https://raw.githubusercontent.com/nf-core/test-datasets/' - // Config options config_profile_name = null config_profile_description = null + custom_config_version = 'master' custom_config_base = "https://raw.githubusercontent.com/nf-core/configs/${params.custom_config_version}" config_profile_contact = null config_profile_url = null - - // Max resource options - // Defaults only, expecting to be overwritten - max_memory = '128.GB' - max_cpus = 16 - max_time = '240.h' - // Schema validation default options - validationFailUnrecognisedParams = false - validationLenientMode = false - validationSchemaIgnoreParams = 'genomes,igenomes_base' - validationShowHiddenParams = false - validate_params = true - + validate_params = true + } // Load base.config by default for all pipelines includeConfig 'conf/base.config' -// Load nf-core custom profiles from different Institutions -try { - includeConfig "${params.custom_config_base}/nfcore_custom.config" -} catch (Exception e) { - System.err.println("WARNING: Could not load nf-core/config profiles: ${params.custom_config_base}/nfcore_custom.config") -} - -// Load nf-core/mag custom profiles from different institutions. -try { - includeConfig "${params.custom_config_base}/pipeline/mag.config" -} catch (Exception e) { - System.err.println("WARNING: Could not load nf-core/config/mag profiles: ${params.custom_config_base}/pipeline/mag.config") -} profiles { debug { dumpHashes = true @@ -89,7 +66,7 @@ profiles { podman.enabled = false shifter.enabled = false charliecloud.enabled = false - conda.channels = ['conda-forge', 'bioconda', 'defaults'] + conda.channels = ['conda-forge', 'bioconda'] apptainer.enabled = false } mamba { @@ -178,25 +155,23 @@ profiles { test_full { includeConfig 'conf/test_full.config' } } -// Set default registry for Apptainer, Docker, Podman and Singularity independent of -profile -// Will not be used unless Apptainer / Docker / Podman / Singularity are enabled -// Set to your registry if you have a mirror of containers -apptainer.registry = 'quay.io' -docker.registry = 'quay.io' -podman.registry = 'quay.io' -singularity.registry = 'quay.io' +// Load nf-core custom profiles from different Institutions +includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${params.custom_config_base}/nfcore_custom.config" : "/dev/null" -// Nextflow plugins -plugins { - id 'nf-validation@1.1.3' // Validation of pipeline parameters and creation of an input channel from a sample sheet -} +// Load nf-core/mag custom profiles from different institutions. +// TODO nf-core: Optionally, you can add a pipeline-specific nf-core config at https://github.com/nf-core/configs +// includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${params.custom_config_base}/pipeline/mag.config" : "/dev/null" +// Set default registry for Apptainer, Docker, Podman, Charliecloud and Singularity independent of -profile +// Will not be used unless Apptainer / Docker / Podman / Charliecloud / Singularity are enabled +// Set to your registry if you have a mirror of containers +apptainer.registry = 'quay.io' +docker.registry = 'quay.io' +podman.registry = 'quay.io' +singularity.registry = 'quay.io' +charliecloud.registry = 'quay.io' // Load igenomes.config if required -if (!params.igenomes_ignore) { - includeConfig 'conf/igenomes.config' -} else { - params.genomes = [:] -} +includeConfig !params.igenomes_ignore ? 'conf/igenomes.config' : 'conf/igenomes_ignored.config' // Export these variables to prevent local Python/R libraries from conflicting with those in the container // The JULIA depot path has been adjusted to a fixed path `/usr/local/share/julia` that needs to be used for packages in the container. // See https://apeltzer.github.io/post/03-julia-lang-nextflow/ for details on that. Once we have a common agreement on where to keep Julia packages, this is adjustable. @@ -208,8 +183,15 @@ env { JULIA_DEPOT_PATH = "/usr/local/share/julia" } -// Capture exit codes from upstream processes when piping -process.shell = ['/bin/bash', '-euo', 'pipefail'] +// Set bash options +process.shell = """\ +bash + +set -e # Exit if a tool returns a non-zero status/exit code +set -u # Treat unset variables and parameters as an error +set -o pipefail # Returns the status of the last command to exit with a non-zero status or zero if all successfully execute +set -C # No clobber - prevent output redirection from overwriting files. +""" // Disable process selector warnings by default. Use debug profile to enable warnings. nextflow.enable.configProcessNamesValidation = false @@ -234,47 +216,51 @@ dag { manifest { name = 'nf-core/mag' - author = """Hadrien Gourlé, Daniel Straub, Sabrina Krakau""" + author = """Hadrien Gourlé, Daniel Straub, Sabrina Krakau, James A. Fellows Yates, Maxime Borry""" homePage = 'https://github.com/nf-core/mag' description = """Assembly, binning and annotation of metagenomes""" mainScript = 'main.nf' - nextflowVersion = '!>=23.04.0' - version = '2.5.5dev' + nextflowVersion = '!>=24.04.2' + version = '3.1.1dev' doi = '' } -// Load modules.config for DSL2 module specific options -includeConfig 'conf/modules.config' +// Nextflow plugins +plugins { + id 'nf-schema@2.1.1' // Validation of pipeline parameters and creation of an input channel from a sample sheet +} + +validation { + defaultIgnoreParams = ["genomes"] + help { + enabled = true + command = "nextflow run $manifest.name -profile --input samplesheet.csv --outdir " + fullParameter = "help_full" + showHiddenParameter = "show_hidden" + beforeText = """ +-\033[2m----------------------------------------------------\033[0m- + \033[0;32m,--.\033[0;30m/\033[0;32m,-.\033[0m +\033[0;34m ___ __ __ __ ___ \033[0;32m/,-._.--~\'\033[0m +\033[0;34m |\\ | |__ __ / ` / \\ |__) |__ \033[0;33m} {\033[0m +\033[0;34m | \\| | \\__, \\__/ | \\ |___ \033[0;32m\\`-._,-`-,\033[0m + \033[0;32m`._,._,\'\033[0m +\033[0;35m ${manifest.name} ${manifest.version}\033[0m +-\033[2m----------------------------------------------------\033[0m- +""" + afterText = """${manifest.doi ? "* The pipeline\n" : ""}${manifest.doi.tokenize(",").collect { " https://doi.org/${it.trim().replace('https://doi.org/','')}"}.join("\n")}${manifest.doi ? "\n" : ""} +* The nf-core framework + https://doi.org/10.1038/s41587-020-0439-x -// Function to ensure that resource requirements don't go beyond -// a maximum limit -def check_max(obj, type) { - if (type == 'memory') { - try { - if (obj.compareTo(params.max_memory as nextflow.util.MemoryUnit) == 1) - return params.max_memory as nextflow.util.MemoryUnit - else - return obj - } catch (all) { - println " ### ERROR ### Max memory '${params.max_memory}' is not valid! Using default value: $obj" - return obj - } - } else if (type == 'time') { - try { - if (obj.compareTo(params.max_time as nextflow.util.Duration) == 1) - return params.max_time as nextflow.util.Duration - else - return obj - } catch (all) { - println " ### ERROR ### Max time '${params.max_time}' is not valid! Using default value: $obj" - return obj - } - } else if (type == 'cpus') { - try { - return Math.min( obj, params.max_cpus as int ) - } catch (all) { - println " ### ERROR ### Max cpus '${params.max_cpus}' is not valid! Using default value: $obj" - return obj - } +* Software dependencies + https://github.com/${manifest.name}/blob/master/CITATIONS.md +""" + } + summary { + beforeText = validation.help.beforeText + afterText = validation.help.afterText } } + +// Load modules.config for DSL2 module specific options +includeConfig 'conf/modules.config' + diff --git a/nextflow_schema.json b/nextflow_schema.json index 5fc37b62..08beeafb 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -1,10 +1,10 @@ { - "$schema": "http://json-schema.org/draft-07/schema", + "$schema": "https://json-schema.org/draft/2020-12/schema", "$id": "https://raw.githubusercontent.com/nf-core/mag/master/nextflow_schema.json", "title": "nf-core/mag pipeline parameters", "description": "Assembly, binning and annotation of metagenomes", "type": "object", - "definitions": { + "$defs": { "input_output_options": { "title": "Input/output options", "type": "object", @@ -71,6 +71,14 @@ "fa_icon": "fas fa-ban", "hidden": true, "help_text": "Do not load `igenomes.config` when running the pipeline. You may choose this option if you observe clashes between custom parameters and those supplied in `igenomes.config`." + }, + "igenomes_base": { + "type": "string", + "format": "directory-path", + "description": "The base path to the igenomes reference files", + "fa_icon": "fas fa-ban", + "hidden": true, + "default": "s3://ngi-igenomes/igenomes/" } } }, @@ -122,41 +130,6 @@ } } }, - "max_job_request_options": { - "title": "Max job request options", - "type": "object", - "fa_icon": "fab fa-acquisitions-incorporated", - "description": "Set the top limit for requested resources for any single job.", - "help_text": "If you are running on a smaller system, a pipeline step requesting more resources than are available may cause the Nextflow to stop the run with an error. These options allow you to cap the maximum resources requested by any single job so that the pipeline will run on your system.\n\nNote that you can not _increase_ the resources requested by any job using these options. For that you will need your own configuration file. See [the nf-core website](https://nf-co.re/usage/configuration) for details.", - "properties": { - "max_cpus": { - "type": "integer", - "description": "Maximum number of CPUs that can be requested for any single job.", - "default": 16, - "fa_icon": "fas fa-microchip", - "hidden": true, - "help_text": "Use to set an upper-limit for the CPU requirement for each process. Should be an integer e.g. `--max_cpus 1`" - }, - "max_memory": { - "type": "string", - "description": "Maximum amount of memory that can be requested for any single job.", - "default": "128.GB", - "fa_icon": "fas fa-memory", - "pattern": "^\\d+(\\.\\d+)?\\.?\\s*(K|M|G|T)?B$", - "hidden": true, - "help_text": "Use to set an upper-limit for the memory requirement for each process. Should be a string in the format integer-unit e.g. `--max_memory '8.GB'`" - }, - "max_time": { - "type": "string", - "description": "Maximum amount of time that can be requested for any single job.", - "default": "240.h", - "fa_icon": "far fa-clock", - "pattern": "^(\\d+\\.?\\s*(s|m|h|d|day)\\s*)+$", - "hidden": true, - "help_text": "Use to set an upper-limit for the time requirement for each process. Should be a string in the format integer-unit e.g. `--max_time '2.h'`" - } - } - }, "generic_options": { "title": "Generic options", "type": "object", @@ -164,12 +137,6 @@ "description": "Less common options for the pipeline, typically set in a config file.", "help_text": "These options are common to all nf-core pipelines and allow you to customise some of the core preferences for how the pipeline runs.\n\nTypically these options would be set in a Nextflow config file loaded for all pipeline runs, such as `~/.nextflow/config`.", "properties": { - "help": { - "type": "boolean", - "description": "Display help text.", - "fa_icon": "fas fa-question-circle", - "hidden": true - }, "version": { "type": "boolean", "description": "Display version and exit.", @@ -245,27 +212,6 @@ "fa_icon": "fas fa-check-square", "hidden": true }, - "validationShowHiddenParams": { - "type": "boolean", - "fa_icon": "far fa-eye-slash", - "description": "Show all params when using `--help`", - "hidden": true, - "help_text": "By default, parameters set as _hidden_ in the schema are not shown on the command line when a user runs with `--help`. Specifying this option will tell the pipeline to show all parameters." - }, - "validationFailUnrecognisedParams": { - "type": "boolean", - "fa_icon": "far fa-check-circle", - "description": "Validation of parameters fails when an unrecognised parameter is found.", - "hidden": true, - "help_text": "By default, when an unrecognised parameter is found, it returns a warinig." - }, - "validationLenientMode": { - "type": "boolean", - "fa_icon": "far fa-check-circle", - "description": "Validation of parameters in lenient more.", - "hidden": true, - "help_text": "Allows string values that are parseable as numbers or booleans. For further information see [JSONSchema docs](https://github.com/everit-org/json-schema#lenient-mode)." - }, "pipelines_testdata_base_path": { "type": "string", "fa_icon": "far fa-check-circle", @@ -278,19 +224,16 @@ }, "allOf": [ { - "$ref": "#/definitions/input_output_options" - }, - { - "$ref": "#/definitions/reference_genome_options" + "$ref": "#/$defs/input_output_options" }, { - "$ref": "#/definitions/institutional_config_options" + "$ref": "#/$defs/reference_genome_options" }, { - "$ref": "#/definitions/max_job_request_options" + "$ref": "#/$defs/institutional_config_options" }, { - "$ref": "#/definitions/generic_options" + "$ref": "#/$defs/generic_options" } ] } diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index d320e7ba..75ea8858 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -8,17 +8,14 @@ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ -include { UTILS_NFVALIDATION_PLUGIN } from '../../nf-core/utils_nfvalidation_plugin' -include { paramsSummaryMap } from 'plugin/nf-validation' -include { fromSamplesheet } from 'plugin/nf-validation' -include { UTILS_NEXTFLOW_PIPELINE } from '../../nf-core/utils_nextflow_pipeline' +include { UTILS_NFSCHEMA_PLUGIN } from '../../nf-core/utils_nfschema_plugin' +include { paramsSummaryMap } from 'plugin/nf-schema' +include { samplesheetToList } from 'plugin/nf-schema' include { completionEmail } from '../../nf-core/utils_nfcore_pipeline' include { completionSummary } from '../../nf-core/utils_nfcore_pipeline' -include { dashedLine } from '../../nf-core/utils_nfcore_pipeline' -include { nfCoreLogo } from '../../nf-core/utils_nfcore_pipeline' include { imNotification } from '../../nf-core/utils_nfcore_pipeline' include { UTILS_NFCORE_PIPELINE } from '../../nf-core/utils_nfcore_pipeline' -include { workflowCitation } from '../../nf-core/utils_nfcore_pipeline' +include { UTILS_NEXTFLOW_PIPELINE } from '../../nf-core/utils_nextflow_pipeline' /* ======================================================================================== @@ -30,7 +27,6 @@ workflow PIPELINE_INITIALISATION { take: version // boolean: Display version and exit - help // boolean: Display help text validate_params // boolean: Boolean whether to validate parameters against the schema at runtime monochrome_logs // boolean: Do not use coloured log outputs nextflow_cli_args // array: List of positional nextflow CLI args @@ -51,20 +47,16 @@ workflow PIPELINE_INITIALISATION { workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1 ) + // // Validate parameters and generate parameter summary to stdout // - pre_help_text = nfCoreLogo(monochrome_logs) - post_help_text = '\n' + workflowCitation() + '\n' + dashedLine(monochrome_logs) - def String workflow_command = "nextflow run ${workflow.manifest.name} -profile --input samplesheet.csv --outdir " - UTILS_NFVALIDATION_PLUGIN ( - help, - workflow_command, - pre_help_text, - post_help_text, + UTILS_NFSCHEMA_PLUGIN ( + workflow, validate_params, - "nextflow_schema.json" + null ) + // // Check config provided to the pipeline @@ -80,8 +72,9 @@ workflow PIPELINE_INITIALISATION { // // Create channel from input file provided through params.input // + Channel - .fromSamplesheet("input") + .fromList(samplesheetToList(params.input, "${projectDir}/assets/schema_input.json")) .map { meta, fastq_1, fastq_2 -> if (!fastq_2) { @@ -91,8 +84,8 @@ workflow PIPELINE_INITIALISATION { } } .groupTuple() - .map { - validateInputSamplesheet(it) + .map { samplesheet -> + validateInputSamplesheet(samplesheet) } .map { meta, fastqs -> @@ -117,13 +110,13 @@ workflow PIPELINE_COMPLETION { email // string: email address email_on_fail // string: email address sent on pipeline failure plaintext_email // boolean: Send plain-text email instead of HTML + outdir // path: Path to output directory where results will be published monochrome_logs // boolean: Disable ANSI colour codes in log output hook_url // string: hook URL for notifications multiqc_report // string: Path to MultiQC report main: - summary_params = paramsSummaryMap(workflow, parameters_schema: "nextflow_schema.json") // @@ -131,11 +124,18 @@ workflow PIPELINE_COMPLETION { // workflow.onComplete { if (email || email_on_fail) { - completionEmail(summary_params, email, email_on_fail, plaintext_email, outdir, monochrome_logs, multiqc_report.toList()) + completionEmail( + summary_params, + email, + email_on_fail, + plaintext_email, + outdir, + monochrome_logs, + multiqc_report.toList() + ) } completionSummary(monochrome_logs) - if (hook_url) { imNotification(summary_params, hook_url) } @@ -165,7 +165,7 @@ def validateInputSamplesheet(input) { def (metas, fastqs) = input[1..2] // Check that multiple runs of the same sample are of the same datatype i.e. single-end / paired-end - def endedness_ok = metas.collect{ it.single_end }.unique().size == 1 + def endedness_ok = metas.collect{ meta -> meta.single_end }.unique().size == 1 if (!endedness_ok) { error("Please check input samplesheet -> Multiple runs of a sample must be of the same datatype i.e. single-end or paired-end: ${metas[0].id}") } @@ -197,7 +197,6 @@ def genomeExistsError() { error(error_string) } } - // // Generate methods description for MultiQC // @@ -239,8 +238,10 @@ def methodsDescriptionText(mqc_methods_yaml) { // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers // Removing ` ` since the manifest.doi is a string and not a proper list def temp_doi_ref = "" - String[] manifest_doi = meta.manifest_map.doi.tokenize(",") - for (String doi_ref: manifest_doi) temp_doi_ref += "(doi: ${doi_ref.replace("https://doi.org/", "").replace(" ", "")}), " + def manifest_doi = meta.manifest_map.doi.tokenize(",") + manifest_doi.each { doi_ref -> + temp_doi_ref += "(doi: ${doi_ref.replace("https://doi.org/", "").replace(" ", "")}), " + } meta["doi_text"] = temp_doi_ref.substring(0, temp_doi_ref.length() - 2) } else meta["doi_text"] = "" meta["nodoi_text"] = meta.manifest_map.doi ? "" : "
  • If available, make sure to update the text to include the Zenodo DOI of version of the pipeline used.
    • " @@ -261,3 +262,4 @@ def methodsDescriptionText(mqc_methods_yaml) { return description_html.toString() } + diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index ac31f28f..28e32b20 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -2,10 +2,6 @@ // Subworkflow with functionality that may be useful for any Nextflow pipeline // -import org.yaml.snakeyaml.Yaml -import groovy.json.JsonOutput -import nextflow.extension.FilesEx - /* ======================================================================================== SUBWORKFLOW DEFINITION @@ -58,7 +54,7 @@ workflow UTILS_NEXTFLOW_PIPELINE { // Generate version string // def getWorkflowVersion() { - String version_string = "" + def version_string = "" as String if (workflow.manifest.version) { def prefix_v = workflow.manifest.version[0] != 'v' ? 'v' : '' version_string += "${prefix_v}${workflow.manifest.version}" @@ -79,10 +75,10 @@ def dumpParametersToJSON(outdir) { def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') def filename = "params_${timestamp}.json" def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") - def jsonStr = JsonOutput.toJson(params) - temp_pf.text = JsonOutput.prettyPrint(jsonStr) + def jsonStr = groovy.json.JsonOutput.toJson(params) + temp_pf.text = groovy.json.JsonOutput.prettyPrint(jsonStr) - FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") + nextflow.extension.FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") temp_pf.delete() } @@ -90,7 +86,7 @@ def dumpParametersToJSON(outdir) { // When running with -profile conda, warn if channels have not been set-up appropriately // def checkCondaChannels() { - Yaml parser = new Yaml() + def parser = new org.yaml.snakeyaml.Yaml() def channels = [] try { def config = parser.load("conda config --show channels".execute().text) @@ -102,14 +98,16 @@ def checkCondaChannels() { // Check that all channels are present // This channel list is ordered by required channel priority. - def required_channels_in_order = ['conda-forge', 'bioconda', 'defaults'] + def required_channels_in_order = ['conda-forge', 'bioconda'] def channels_missing = ((required_channels_in_order as Set) - (channels as Set)) as Boolean // Check that they are in the right order def channel_priority_violation = false - def n = required_channels_in_order.size() - for (int i = 0; i < n - 1; i++) { - channel_priority_violation |= !(channels.indexOf(required_channels_in_order[i]) < channels.indexOf(required_channels_in_order[i+1])) + + required_channels_in_order.eachWithIndex { channel, index -> + if (index < required_channels_in_order.size() - 1) { + channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index+1])) + } } if (channels_missing | channel_priority_violation) { diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config index d0a926bf..a09572e5 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config +++ b/subworkflows/nf-core/utils_nextflow_pipeline/tests/nextflow.config @@ -3,7 +3,7 @@ manifest { author = """nf-core""" homePage = 'https://127.0.0.1' description = """Dummy pipeline""" - nextflowVersion = '!>=23.04.0' + nextflowVersion = '!>=23.04.0' version = '9.9.9' doi = 'https://doi.org/10.5281/zenodo.5070524' } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index 14558c39..cbd8495b 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -2,9 +2,6 @@ // Subworkflow with utility functions specific to the nf-core pipeline template // -import org.yaml.snakeyaml.Yaml -import nextflow.extension.FilesEx - /* ======================================================================================== SUBWORKFLOW DEFINITION @@ -34,7 +31,7 @@ workflow UTILS_NFCORE_PIPELINE { // Warn if a -profile or Nextflow config has not been provided to run the pipeline // def checkConfigProvided() { - valid_config = true + def valid_config = true as Boolean if (workflow.profile == 'standard' && workflow.configFiles.size() <= 1) { log.warn "[$workflow.manifest.name] You are attempting to run the pipeline without any custom configuration!\n\n" + "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + @@ -66,11 +63,13 @@ def checkProfileProvided(nextflow_cli_args) { // def workflowCitation() { def temp_doi_ref = "" - String[] manifest_doi = workflow.manifest.doi.tokenize(",") + def manifest_doi = workflow.manifest.doi.tokenize(",") // Using a loop to handle multiple DOIs // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers // Removing ` ` since the manifest.doi is a string and not a proper list - for (String doi_ref: manifest_doi) temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" + manifest_doi.each { doi_ref -> + temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" + } return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + "* The pipeline\n" + temp_doi_ref + "\n" + @@ -84,7 +83,7 @@ def workflowCitation() { // Generate workflow version string // def getWorkflowVersion() { - String version_string = "" + def version_string = "" as String if (workflow.manifest.version) { def prefix_v = workflow.manifest.version[0] != 'v' ? 'v' : '' version_string += "${prefix_v}${workflow.manifest.version}" @@ -102,8 +101,8 @@ def getWorkflowVersion() { // Get software versions for pipeline // def processVersionsFromYAML(yaml_file) { - Yaml yaml = new Yaml() - versions = yaml.load(yaml_file).collectEntries { k, v -> [ k.tokenize(':')[-1], v ] } + def yaml = new org.yaml.snakeyaml.Yaml() + def versions = yaml.load(yaml_file).collectEntries { k, v -> [ k.tokenize(':')[-1], v ] } return yaml.dumpAsMap(versions).trim() } @@ -124,7 +123,7 @@ def workflowVersionToYAML() { def softwareVersionsToYAML(ch_versions) { return ch_versions .unique() - .map { processVersionsFromYAML(it) } + .map { version -> processVersionsFromYAML(version) } .unique() .mix(Channel.of(workflowVersionToYAML())) } @@ -134,19 +133,19 @@ def softwareVersionsToYAML(ch_versions) { // def paramsSummaryMultiqc(summary_params) { def summary_section = '' - for (group in summary_params.keySet()) { + summary_params.keySet().each { group -> def group_params = summary_params.get(group) // This gets the parameters of that particular group if (group_params) { summary_section += "

    $group

    \n" summary_section += "
    \n" - for (param in group_params.keySet()) { + group_params.keySet().sort().each { param -> summary_section += "
    $param
    ${group_params.get(param) ?: 'N/A'}
    \n" } summary_section += "
    \n" } } - String yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" + def yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" as String yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" @@ -161,7 +160,7 @@ def paramsSummaryMultiqc(summary_params) { // nf-core logo // def nfCoreLogo(monochrome_logs=true) { - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map String.format( """\n ${dashedLine(monochrome_logs)} @@ -180,7 +179,7 @@ def nfCoreLogo(monochrome_logs=true) { // Return dashed line // def dashedLine(monochrome_logs=true) { - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map return "-${colors.dim}----------------------------------------------------${colors.reset}-" } @@ -188,7 +187,7 @@ def dashedLine(monochrome_logs=true) { // ANSII colours used for terminal logging // def logColours(monochrome_logs=true) { - Map colorcodes = [:] + def colorcodes = [:] as Map // Reset / Meta colorcodes['reset'] = monochrome_logs ? '' : "\033[0m" @@ -287,7 +286,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi } def summary = [:] - for (group in summary_params.keySet()) { + summary_params.keySet().sort().each { group -> summary << summary_params[group] } @@ -344,10 +343,10 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi def sendmail_html = sendmail_template.toString() // Send the HTML e-mail - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map if (email_address) { try { - if (plaintext_email) { throw GroovyException('Send plaintext e-mail, not HTML') } + if (plaintext_email) { throw new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') } // Try to send HTML e-mail using sendmail def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") sendmail_tf.withWriter { w -> w << sendmail_html } @@ -364,13 +363,13 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi // Write summary e-mail HTML to a file def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") output_hf.withWriter { w -> w << email_html } - FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html"); + nextflow.extension.FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html"); output_hf.delete() // Write summary e-mail TXT to a file def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") output_tf.withWriter { w -> w << email_txt } - FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt"); + nextflow.extension.FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt"); output_tf.delete() } @@ -378,7 +377,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi // Print pipeline summary on completion // def completionSummary(monochrome_logs=true) { - Map colors = logColours(monochrome_logs) + def colors = logColours(monochrome_logs) as Map if (workflow.success) { if (workflow.stats.ignoredCount == 0) { log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Pipeline completed successfully${colors.reset}-" @@ -395,7 +394,7 @@ def completionSummary(monochrome_logs=true) { // def imNotification(summary_params, hook_url) { def summary = [:] - for (group in summary_params.keySet()) { + summary_params.keySet().sort().each { group -> summary << summary_params[group] } diff --git a/subworkflows/nf-core/utils_nfschema_plugin/main.nf b/subworkflows/nf-core/utils_nfschema_plugin/main.nf new file mode 100644 index 00000000..4994303e --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/main.nf @@ -0,0 +1,46 @@ +// +// Subworkflow that uses the nf-schema plugin to validate parameters and render the parameter summary +// + +include { paramsSummaryLog } from 'plugin/nf-schema' +include { validateParameters } from 'plugin/nf-schema' + +workflow UTILS_NFSCHEMA_PLUGIN { + + take: + input_workflow // workflow: the workflow object used by nf-schema to get metadata from the workflow + validate_params // boolean: validate the parameters + parameters_schema // string: path to the parameters JSON schema. + // this has to be the same as the schema given to `validation.parametersSchema` + // when this input is empty it will automatically use the configured schema or + // "${projectDir}/nextflow_schema.json" as default. This input should not be empty + // for meta pipelines + + main: + + // + // Print parameter summary to stdout. This will display the parameters + // that differ from the default given in the JSON schema + // + if(parameters_schema) { + log.info paramsSummaryLog(input_workflow, parameters_schema:parameters_schema) + } else { + log.info paramsSummaryLog(input_workflow) + } + + // + // Validate the parameters using nextflow_schema.json or the schema + // given via the validation.parametersSchema configuration option + // + if(validate_params) { + if(parameters_schema) { + validateParameters(parameters_schema:parameters_schema) + } else { + validateParameters() + } + } + + emit: + dummy_emit = true +} + diff --git a/subworkflows/nf-core/utils_nfschema_plugin/meta.yml b/subworkflows/nf-core/utils_nfschema_plugin/meta.yml new file mode 100644 index 00000000..f7d9f028 --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/meta.yml @@ -0,0 +1,35 @@ +# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/subworkflows/yaml-schema.json +name: "utils_nfschema_plugin" +description: Run nf-schema to validate parameters and create a summary of changed parameters +keywords: + - validation + - JSON schema + - plugin + - parameters + - summary +components: [] +input: + - input_workflow: + type: object + description: | + The workflow object of the used pipeline. + This object contains meta data used to create the params summary log + - validate_params: + type: boolean + description: Validate the parameters and error if invalid. + - parameters_schema: + type: string + description: | + Path to the parameters JSON schema. + This has to be the same as the schema given to the `validation.parametersSchema` config + option. When this input is empty it will automatically use the configured schema or + "${projectDir}/nextflow_schema.json" as default. The schema should not be given in this way + for meta pipelines. +output: + - dummy_emit: + type: boolean + description: Dummy emit to make nf-core subworkflows lint happy +authors: + - "@nvnieuwk" +maintainers: + - "@nvnieuwk" diff --git a/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test new file mode 100644 index 00000000..842dc432 --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/main.nf.test @@ -0,0 +1,117 @@ +nextflow_workflow { + + name "Test Subworkflow UTILS_NFSCHEMA_PLUGIN" + script "../main.nf" + workflow "UTILS_NFSCHEMA_PLUGIN" + + tag "subworkflows" + tag "subworkflows_nfcore" + tag "subworkflows/utils_nfschema_plugin" + tag "plugin/nf-schema" + + config "./nextflow.config" + + test("Should run nothing") { + + when { + + params { + test_data = '' + } + + workflow { + """ + validate_params = false + input[0] = workflow + input[1] = validate_params + input[2] = "" + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } + + test("Should validate params") { + + when { + + params { + test_data = '' + outdir = 1 + } + + workflow { + """ + validate_params = true + input[0] = workflow + input[1] = validate_params + input[2] = "" + """ + } + } + + then { + assertAll( + { assert workflow.failed }, + { assert workflow.stdout.any { it.contains('ERROR ~ Validation of pipeline parameters failed!') } } + ) + } + } + + test("Should run nothing - custom schema") { + + when { + + params { + test_data = '' + } + + workflow { + """ + validate_params = false + input[0] = workflow + input[1] = validate_params + input[2] = "${projectDir}/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json" + """ + } + } + + then { + assertAll( + { assert workflow.success } + ) + } + } + + test("Should validate params - custom schema") { + + when { + + params { + test_data = '' + outdir = 1 + } + + workflow { + """ + validate_params = true + input[0] = workflow + input[1] = validate_params + input[2] = "${projectDir}/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json" + """ + } + } + + then { + assertAll( + { assert workflow.failed }, + { assert workflow.stdout.any { it.contains('ERROR ~ Validation of pipeline parameters failed!') } } + ) + } + } +} diff --git a/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config new file mode 100644 index 00000000..0907ac58 --- /dev/null +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow.config @@ -0,0 +1,8 @@ +plugins { + id "nf-schema@2.1.0" +} + +validation { + parametersSchema = "${projectDir}/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json" + monochromeLogs = true +} \ No newline at end of file diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json similarity index 95% rename from subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json rename to subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json index 7626c1c9..331e0d2f 100644 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/nextflow_schema.json +++ b/subworkflows/nf-core/utils_nfschema_plugin/tests/nextflow_schema.json @@ -1,10 +1,10 @@ { - "$schema": "http://json-schema.org/draft-07/schema", + "$schema": "https://json-schema.org/draft/2020-12/schema", "$id": "https://raw.githubusercontent.com/./master/nextflow_schema.json", "title": ". pipeline parameters", "description": "", "type": "object", - "definitions": { + "$defs": { "input_output_options": { "title": "Input/output options", "type": "object", @@ -87,10 +87,10 @@ }, "allOf": [ { - "$ref": "#/definitions/input_output_options" + "$ref": "#/$defs/input_output_options" }, { - "$ref": "#/definitions/generic_options" + "$ref": "#/$defs/generic_options" } ] } diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf b/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf deleted file mode 100644 index 2585b65d..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/main.nf +++ /dev/null @@ -1,62 +0,0 @@ -// -// Subworkflow that uses the nf-validation plugin to render help text and parameter summary -// - -/* -======================================================================================== - IMPORT NF-VALIDATION PLUGIN -======================================================================================== -*/ - -include { paramsHelp } from 'plugin/nf-validation' -include { paramsSummaryLog } from 'plugin/nf-validation' -include { validateParameters } from 'plugin/nf-validation' - -/* -======================================================================================== - SUBWORKFLOW DEFINITION -======================================================================================== -*/ - -workflow UTILS_NFVALIDATION_PLUGIN { - - take: - print_help // boolean: print help - workflow_command // string: default commmand used to run pipeline - pre_help_text // string: string to be printed before help text and summary log - post_help_text // string: string to be printed after help text and summary log - validate_params // boolean: validate parameters - schema_filename // path: JSON schema file, null to use default value - - main: - - log.debug "Using schema file: ${schema_filename}" - - // Default values for strings - pre_help_text = pre_help_text ?: '' - post_help_text = post_help_text ?: '' - workflow_command = workflow_command ?: '' - - // - // Print help message if needed - // - if (print_help) { - log.info pre_help_text + paramsHelp(workflow_command, parameters_schema: schema_filename) + post_help_text - System.exit(0) - } - - // - // Print parameter summary to stdout - // - log.info pre_help_text + paramsSummaryLog(workflow, parameters_schema: schema_filename) + post_help_text - - // - // Validate parameters relative to the parameter JSON schema - // - if (validate_params){ - validateParameters(parameters_schema: schema_filename) - } - - emit: - dummy_emit = true -} diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml b/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml deleted file mode 100644 index 3d4a6b04..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/meta.yml +++ /dev/null @@ -1,44 +0,0 @@ -# yaml-language-server: $schema=https://raw.githubusercontent.com/nf-core/modules/master/subworkflows/yaml-schema.json -name: "UTILS_NFVALIDATION_PLUGIN" -description: Use nf-validation to initiate and validate a pipeline -keywords: - - utility - - pipeline - - initialise - - validation -components: [] -input: - - print_help: - type: boolean - description: | - Print help message and exit - - workflow_command: - type: string - description: | - The command to run the workflow e.g. "nextflow run main.nf" - - pre_help_text: - type: string - description: | - Text to print before the help message - - post_help_text: - type: string - description: | - Text to print after the help message - - validate_params: - type: boolean - description: | - Validate the parameters and error if invalid. - - schema_filename: - type: string - description: | - The filename of the schema to validate against. -output: - - dummy_emit: - type: boolean - description: | - Dummy emit to make nf-core subworkflows lint happy -authors: - - "@adamrtalbot" -maintainers: - - "@adamrtalbot" - - "@maxulysse" diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test deleted file mode 100644 index 5784a33f..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/main.nf.test +++ /dev/null @@ -1,200 +0,0 @@ -nextflow_workflow { - - name "Test Workflow UTILS_NFVALIDATION_PLUGIN" - script "../main.nf" - workflow "UTILS_NFVALIDATION_PLUGIN" - tag "subworkflows" - tag "subworkflows_nfcore" - tag "plugin/nf-validation" - tag "'plugin/nf-validation'" - tag "utils_nfvalidation_plugin" - tag "subworkflows/utils_nfvalidation_plugin" - - test("Should run nothing") { - - when { - - params { - monochrome_logs = true - test_data = '' - } - - workflow { - """ - help = false - workflow_command = null - pre_help_text = null - post_help_text = null - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success } - ) - } - } - - test("Should run help") { - - - when { - - params { - monochrome_logs = true - test_data = '' - } - workflow { - """ - help = true - workflow_command = null - pre_help_text = null - post_help_text = null - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success }, - { assert workflow.exitStatus == 0 }, - { assert workflow.stdout.any { it.contains('Input/output options') } }, - { assert workflow.stdout.any { it.contains('--outdir') } } - ) - } - } - - test("Should run help with command") { - - when { - - params { - monochrome_logs = true - test_data = '' - } - workflow { - """ - help = true - workflow_command = "nextflow run noorg/doesntexist" - pre_help_text = null - post_help_text = null - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success }, - { assert workflow.exitStatus == 0 }, - { assert workflow.stdout.any { it.contains('nextflow run noorg/doesntexist') } }, - { assert workflow.stdout.any { it.contains('Input/output options') } }, - { assert workflow.stdout.any { it.contains('--outdir') } } - ) - } - } - - test("Should run help with extra text") { - - - when { - - params { - monochrome_logs = true - test_data = '' - } - workflow { - """ - help = true - workflow_command = "nextflow run noorg/doesntexist" - pre_help_text = "pre-help-text" - post_help_text = "post-help-text" - validate_params = false - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.success }, - { assert workflow.exitStatus == 0 }, - { assert workflow.stdout.any { it.contains('pre-help-text') } }, - { assert workflow.stdout.any { it.contains('nextflow run noorg/doesntexist') } }, - { assert workflow.stdout.any { it.contains('Input/output options') } }, - { assert workflow.stdout.any { it.contains('--outdir') } }, - { assert workflow.stdout.any { it.contains('post-help-text') } } - ) - } - } - - test("Should validate params") { - - when { - - params { - monochrome_logs = true - test_data = '' - outdir = 1 - } - workflow { - """ - help = false - workflow_command = null - pre_help_text = null - post_help_text = null - validate_params = true - schema_filename = "$moduleTestDir/nextflow_schema.json" - - input[0] = help - input[1] = workflow_command - input[2] = pre_help_text - input[3] = post_help_text - input[4] = validate_params - input[5] = schema_filename - """ - } - } - - then { - assertAll( - { assert workflow.failed }, - { assert workflow.stdout.any { it.contains('ERROR ~ ERROR: Validation of pipeline parameters failed!') } } - ) - } - } -} diff --git a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml b/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml deleted file mode 100644 index 60b1cfff..00000000 --- a/subworkflows/nf-core/utils_nfvalidation_plugin/tests/tags.yml +++ /dev/null @@ -1,2 +0,0 @@ -subworkflows/utils_nfvalidation_plugin: - - subworkflows/nf-core/utils_nfvalidation_plugin/** diff --git a/workflows/mag.nf b/workflows/mag.nf index fe73fbef..b938b8df 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -3,10 +3,9 @@ IMPORT MODULES / SUBWORKFLOWS / FUNCTIONS ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ - include { FASTQC } from '../modules/nf-core/fastqc/main' include { MULTIQC } from '../modules/nf-core/multiqc/main' -include { paramsSummaryMap } from 'plugin/nf-validation' +include { paramsSummaryMap } from 'plugin/nf-schema' include { paramsSummaryMultiqc } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { softwareVersionsToYAML } from '../subworkflows/nf-core/utils_nfcore_pipeline' include { methodsDescriptionText } from '../subworkflows/local/utils_nfcore_mag_pipeline' @@ -21,12 +20,10 @@ workflow MAG { take: ch_samplesheet // channel: samplesheet read in from --input - main: ch_versions = Channel.empty() ch_multiqc_files = Channel.empty() - // // MODULE: Run FastQC // @@ -42,11 +39,12 @@ workflow MAG { softwareVersionsToYAML(ch_versions) .collectFile( storeDir: "${params.outdir}/pipeline_info", - name: 'nf_core_pipeline_software_mqc_versions.yml', + name: 'nf_core_' + 'pipeline_software_' + 'mqc_' + 'versions.yml', sort: true, newLine: true ).set { ch_collated_versions } + // // MODULE: MultiQC // @@ -59,18 +57,19 @@ workflow MAG { Channel.fromPath(params.multiqc_logo, checkIfExists: true) : Channel.empty() + summary_params = paramsSummaryMap( workflow, parameters_schema: "nextflow_schema.json") ch_workflow_summary = Channel.value(paramsSummaryMultiqc(summary_params)) - + ch_multiqc_files = ch_multiqc_files.mix( + ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) + ch_multiqc_custom_methods_description = params.multiqc_methods_description ? file(params.multiqc_methods_description, checkIfExists: true) : file("$projectDir/assets/methods_description_template.yml", checkIfExists: true) ch_methods_description = Channel.value( methodsDescriptionText(ch_multiqc_custom_methods_description)) - ch_multiqc_files = ch_multiqc_files.mix( - ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) ch_multiqc_files = ch_multiqc_files.mix(ch_collated_versions) ch_multiqc_files = ch_multiqc_files.mix( ch_methods_description.collectFile( @@ -83,12 +82,14 @@ workflow MAG { ch_multiqc_files.collect(), ch_multiqc_config.toList(), ch_multiqc_custom_config.toList(), - ch_multiqc_logo.toList() + ch_multiqc_logo.toList(), + [], + [] ) - emit: - multiqc_report = MULTIQC.out.report.toList() // channel: /path/to/multiqc_report.html + emit:multiqc_report = MULTIQC.out.report.toList() // channel: /path/to/multiqc_report.html versions = ch_versions // channel: [ path(versions.yml) ] + } /* From 22d3247fd4a79c8253dd01cf4fca960c74a0caee Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Wed, 9 Oct 2024 11:05:54 +0000 Subject: [PATCH 14/70] Template update for nf-core/tools version 3.0.1 --- .editorconfig | 4 - .github/CONTRIBUTING.md | 2 +- .github/workflows/awsfulltest.yml | 6 +- .github/workflows/linting.yml | 4 +- .nf-core.yml | 2 +- .prettierignore | 1 - docs/output.md | 1 - modules.json | 6 +- modules/nf-core/multiqc/environment.yml | 2 +- modules/nf-core/multiqc/main.nf | 4 +- .../nf-core/multiqc/tests/main.nf.test.snap | 26 +- nextflow.config | 8 +- .../local/utils_nfcore_mag_pipeline/main.nf | 12 +- .../nf-core/utils_nextflow_pipeline/main.nf | 46 ++- .../nf-core/utils_nfcore_pipeline/main.nf | 279 ++++++++++-------- 15 files changed, 209 insertions(+), 194 deletions(-) diff --git a/.editorconfig b/.editorconfig index e1058815..72dda289 100644 --- a/.editorconfig +++ b/.editorconfig @@ -11,7 +11,6 @@ indent_style = space [*.{md,yml,yaml,html,css,scss,js}] indent_size = 2 - # These files are edited and tested upstream in nf-core/modules [/modules/nf-core/**] charset = unset @@ -26,12 +25,9 @@ insert_final_newline = unset trim_trailing_whitespace = unset indent_style = unset - - [/assets/email*] indent_size = unset - # ignore python and markdown [*.{py,md}] indent_style = unset diff --git a/.github/CONTRIBUTING.md b/.github/CONTRIBUTING.md index d80d6f5d..67f02e93 100644 --- a/.github/CONTRIBUTING.md +++ b/.github/CONTRIBUTING.md @@ -90,7 +90,7 @@ Once there, use `nf-core pipelines schema build` to add to `nextflow_schema.json ### Default processes resource requirements -Sensible defaults for process resource requirements (CPUs / memory / time) for a process should be defined in `conf/base.config`. These should generally be specified generic with `withLabel:` selectors so they can be shared across multiple processes/steps of the pipeline. A nf-core standard set of labels that should be followed where possible can be seen in the [nf-core pipeline template](https://github.com/nf-core/tools/blob/master/nf_core/pipeline-template/conf/base.config), which has the default process as a single core-process, and then different levels of multi-core configurations for increasingly large memory requirements defined with standardised labels. +Sensible defaults for process resource requirements (CPUs / memory / time) for a process should be defined in `conf/base.config`. These should generally be specified generic with `withLabel:` selectors so they can be shared across multiple processes/steps of the pipeline. A nf-core standard set of labels that should be followed where possible can be seen in the [nf-core pipeline template](https://github.com/nf-core/tools/blob/main/nf_core/pipeline-template/conf/base.config), which has the default process as a single core-process, and then different levels of multi-core configurations for increasingly large memory requirements defined with standardised labels. The process resources can be passed on to the tool dynamically within the process with the `${task.cpus}` and `${task.memory}` variables in the `script:` block. diff --git a/.github/workflows/awsfulltest.yml b/.github/workflows/awsfulltest.yml index 8337de9e..bdeeb8b4 100644 --- a/.github/workflows/awsfulltest.yml +++ b/.github/workflows/awsfulltest.yml @@ -14,16 +14,18 @@ on: jobs: run-platform: name: Run AWS full tests - if: github.repository == 'nf-core/mag' && github.event.review.state == 'approved' + # run only if the PR is approved by at least 2 reviewers and against the master branch or manually triggered + if: github.repository == 'nf-core/mag' && github.event.review.state == 'approved' && github.event.pull_request.base.ref == 'master' || github.event_name == 'workflow_dispatch' runs-on: ubuntu-latest steps: - uses: octokit/request-action@v2.x id: check_approvals with: - route: GET /repos/${{ github.repository }}/pulls/${{ github.event.review.number }}/reviews + route: GET /repos/${{ github.repository }}/pulls/${{ github.event.pull_request.number }}/reviews env: GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} - id: test_variables + if: github.event_name != 'workflow_dispatch' run: | JSON_RESPONSE='${{ steps.check_approvals.outputs.data }}' CURRENT_APPROVALS_COUNT=$(echo $JSON_RESPONSE | jq -c '[.[] | select(.state | contains("APPROVED")) ] | length') diff --git a/.github/workflows/linting.yml b/.github/workflows/linting.yml index b882838a..a502573c 100644 --- a/.github/workflows/linting.yml +++ b/.github/workflows/linting.yml @@ -42,10 +42,10 @@ jobs: architecture: "x64" - name: read .nf-core.yml - uses: pietrobolcato/action-read-yaml@1.0.0 + uses: pietrobolcato/action-read-yaml@1.1.0 id: read_yml with: - config: ${{ github.workspace }}/.nf-core.yaml + config: ${{ github.workspace }}/.nf-core.yml - name: Install dependencies run: | diff --git a/.nf-core.yml b/.nf-core.yml index c1a90308..87110bdf 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -6,7 +6,7 @@ lint: - config_defaults: - params.phix_reference - params.lambda_reference -nf_core_version: 3.0.0 +nf_core_version: 3.0.1 org_path: null repository_type: pipeline template: diff --git a/.prettierignore b/.prettierignore index 610e5069..437d763d 100644 --- a/.prettierignore +++ b/.prettierignore @@ -1,4 +1,3 @@ - email_template.html adaptivecard.json slackreport.json diff --git a/docs/output.md b/docs/output.md index 2e874edf..65e80ff9 100644 --- a/docs/output.md +++ b/docs/output.md @@ -14,7 +14,6 @@ The pipeline is built using [Nextflow](https://www.nextflow.io/) and processes d - [FastQC](#fastqc) - Raw read QC - [MultiQC](#multiqc) - Aggregate report describing results and QC from the whole pipeline - - [Pipeline information](#pipeline-information) - Report metrics generated during the workflow execution ### FastQC diff --git a/modules.json b/modules.json index 437ae06f..bfe02a87 100644 --- a/modules.json +++ b/modules.json @@ -12,7 +12,7 @@ }, "multiqc": { "branch": "master", - "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "git_sha": "b8d36829fa84b6e404364abff787e8b07f6d058c", "installed_by": ["modules"] } } @@ -21,12 +21,12 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "d20fb2a9cc3e2835e9d067d1046a63252eb17352", + "git_sha": "9d05360da397692321d377b6102d2fb22507c6ef", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "2fdce49d30c0254f76bc0f13c55c17455c1251ab", + "git_sha": "772684d9d66f37b650c8ba5146ac1ee3ecba2acb", "installed_by": ["subworkflows"] }, "utils_nfschema_plugin": { diff --git a/modules/nf-core/multiqc/environment.yml b/modules/nf-core/multiqc/environment.yml index f1cd99b0..6f5b867b 100644 --- a/modules/nf-core/multiqc/environment.yml +++ b/modules/nf-core/multiqc/environment.yml @@ -2,4 +2,4 @@ channels: - conda-forge - bioconda dependencies: - - bioconda::multiqc=1.24.1 + - bioconda::multiqc=1.25.1 diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index b9ccebdb..9724d2f3 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -3,8 +3,8 @@ process MULTIQC { conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/multiqc:1.25--pyhdfd78af_0' : - 'biocontainers/multiqc:1.25--pyhdfd78af_0' }" + 'https://depot.galaxyproject.org/singularity/multiqc:1.25.1--pyhdfd78af_0' : + 'biocontainers/multiqc:1.25.1--pyhdfd78af_0' }" input: path multiqc_files, stageAs: "?/*" diff --git a/modules/nf-core/multiqc/tests/main.nf.test.snap b/modules/nf-core/multiqc/tests/main.nf.test.snap index b779e469..2fcbb5ff 100644 --- a/modules/nf-core/multiqc/tests/main.nf.test.snap +++ b/modules/nf-core/multiqc/tests/main.nf.test.snap @@ -2,14 +2,14 @@ "multiqc_versions_single": { "content": [ [ - "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" + "versions.yml:md5,41f391dcedce7f93ca188f3a3ffa0916" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" + "nf-test": "0.9.0", + "nextflow": "24.04.4" }, - "timestamp": "2024-07-10T12:41:34.562023" + "timestamp": "2024-10-02T17:51:46.317523" }, "multiqc_stub": { "content": [ @@ -17,25 +17,25 @@ "multiqc_report.html", "multiqc_data", "multiqc_plots", - "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" + "versions.yml:md5,41f391dcedce7f93ca188f3a3ffa0916" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" + "nf-test": "0.9.0", + "nextflow": "24.04.4" }, - "timestamp": "2024-07-10T11:27:11.933869532" + "timestamp": "2024-10-02T17:52:20.680978" }, "multiqc_versions_config": { "content": [ [ - "versions.yml:md5,8c8724363a5efe0c6f43ab34faa57efd" + "versions.yml:md5,41f391dcedce7f93ca188f3a3ffa0916" ] ], "meta": { - "nf-test": "0.8.4", - "nextflow": "24.04.2" + "nf-test": "0.9.0", + "nextflow": "24.04.4" }, - "timestamp": "2024-07-10T11:26:56.709849369" + "timestamp": "2024-10-02T17:52:09.185842" } -} +} \ No newline at end of file diff --git a/nextflow.config b/nextflow.config index 8c009460..6010784d 100644 --- a/nextflow.config +++ b/nextflow.config @@ -12,10 +12,12 @@ params { // TODO nf-core: Specify your pipeline's command line flags // Input options input = null + // References genome = null igenomes_base = 's3://ngi-igenomes/igenomes/' igenomes_ignore = false + // MultiQC options multiqc_config = null multiqc_title = null @@ -36,6 +38,7 @@ params { show_hidden = false version = false pipelines_testdata_base_path = 'https://raw.githubusercontent.com/nf-core/test-datasets/' + // Config options config_profile_name = null config_profile_description = null @@ -44,9 +47,9 @@ params { custom_config_base = "https://raw.githubusercontent.com/nf-core/configs/${params.custom_config_version}" config_profile_contact = null config_profile_url = null + // Schema validation default options validate_params = true - } // Load base.config by default for all pipelines @@ -161,6 +164,7 @@ includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${pa // Load nf-core/mag custom profiles from different institutions. // TODO nf-core: Optionally, you can add a pipeline-specific nf-core config at https://github.com/nf-core/configs // includeConfig !System.getenv('NXF_OFFLINE') && params.custom_config_base ? "${params.custom_config_base}/pipeline/mag.config" : "/dev/null" + // Set default registry for Apptainer, Docker, Podman, Charliecloud and Singularity independent of -profile // Will not be used unless Apptainer / Docker / Podman / Charliecloud / Singularity are enabled // Set to your registry if you have a mirror of containers @@ -172,6 +176,7 @@ charliecloud.registry = 'quay.io' // Load igenomes.config if required includeConfig !params.igenomes_ignore ? 'conf/igenomes.config' : 'conf/igenomes_ignored.config' + // Export these variables to prevent local Python/R libraries from conflicting with those in the container // The JULIA depot path has been adjusted to a fixed path `/usr/local/share/julia` that needs to be used for packages in the container. // See https://apeltzer.github.io/post/03-julia-lang-nextflow/ for details on that. Once we have a common agreement on where to keep Julia packages, this is adjustable. @@ -263,4 +268,3 @@ validation { // Load modules.config for DSL2 module specific options includeConfig 'conf/modules.config' - diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index 75ea8858..edefc259 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -18,9 +18,9 @@ include { UTILS_NFCORE_PIPELINE } from '../../nf-core/utils_nfcore_pipeline' include { UTILS_NEXTFLOW_PIPELINE } from '../../nf-core/utils_nextflow_pipeline' /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW TO INITIALISE PIPELINE -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow PIPELINE_INITIALISATION { @@ -99,9 +99,9 @@ workflow PIPELINE_INITIALISATION { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW FOR PIPELINE COMPLETION -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow PIPELINE_COMPLETION { @@ -147,9 +147,9 @@ workflow PIPELINE_COMPLETION { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // // Check and validate pipeline parameters diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index 28e32b20..2b0dc67a 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -3,13 +3,12 @@ // /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NEXTFLOW_PIPELINE { - take: print_version // boolean: print version dump_parameters // boolean: dump parameters @@ -22,7 +21,7 @@ workflow UTILS_NEXTFLOW_PIPELINE { // Print workflow version and exit on --version // if (print_version) { - log.info "${workflow.manifest.name} ${getWorkflowVersion()}" + log.info("${workflow.manifest.name} ${getWorkflowVersion()}") System.exit(0) } @@ -45,9 +44,9 @@ workflow UTILS_NEXTFLOW_PIPELINE { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -72,11 +71,11 @@ def getWorkflowVersion() { // Dump pipeline parameters to a JSON file // def dumpParametersToJSON(outdir) { - def timestamp = new java.util.Date().format( 'yyyy-MM-dd_HH-mm-ss') - def filename = "params_${timestamp}.json" - def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") - def jsonStr = groovy.json.JsonOutput.toJson(params) - temp_pf.text = groovy.json.JsonOutput.prettyPrint(jsonStr) + def timestamp = new java.util.Date().format('yyyy-MM-dd_HH-mm-ss') + def filename = "params_${timestamp}.json" + def temp_pf = new File(workflow.launchDir.toString(), ".${filename}") + def jsonStr = groovy.json.JsonOutput.toJson(params) + temp_pf.text = groovy.json.JsonOutput.prettyPrint(jsonStr) nextflow.extension.FilesEx.copyTo(temp_pf.toPath(), "${outdir}/pipeline_info/params_${timestamp}.json") temp_pf.delete() @@ -91,9 +90,14 @@ def checkCondaChannels() { try { def config = parser.load("conda config --show channels".execute().text) channels = config.channels - } catch(NullPointerException | IOException e) { - log.warn "Could not verify conda channel configuration." - return + } + catch (NullPointerException e) { + log.warn("Could not verify conda channel configuration.") + return null + } + catch (IOException e) { + log.warn("Could not verify conda channel configuration.") + return null } // Check that all channels are present @@ -106,19 +110,13 @@ def checkCondaChannels() { required_channels_in_order.eachWithIndex { channel, index -> if (index < required_channels_in_order.size() - 1) { - channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index+1])) + channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index + 1])) } } if (channels_missing | channel_priority_violation) { - log.warn "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + - " There is a problem with your Conda configuration!\n\n" + - " You will need to set-up the conda-forge and bioconda channels correctly.\n" + - " Please refer to https://bioconda.github.io/\n" + - " The observed channel order is \n" + - " ${channels}\n" + - " but the following channel order is required:\n" + - " ${required_channels_in_order}\n" + - "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + log.warn( + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + " There is a problem with your Conda configuration!\n\n" + " You will need to set-up the conda-forge and bioconda channels correctly.\n" + " Please refer to https://bioconda.github.io/\n" + " The observed channel order is \n" + " ${channels}\n" + " but the following channel order is required:\n" + " ${required_channels_in_order}\n" + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + ) } } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index cbd8495b..b78273ca 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -3,13 +3,12 @@ // /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NFCORE_PIPELINE { - take: nextflow_cli_args @@ -22,9 +21,9 @@ workflow UTILS_NFCORE_PIPELINE { } /* -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -======================================================================================== +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -33,12 +32,9 @@ workflow UTILS_NFCORE_PIPELINE { def checkConfigProvided() { def valid_config = true as Boolean if (workflow.profile == 'standard' && workflow.configFiles.size() <= 1) { - log.warn "[$workflow.manifest.name] You are attempting to run the pipeline without any custom configuration!\n\n" + - "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + - " (1) Using an existing pipeline profile e.g. `-profile docker` or `-profile singularity`\n" + - " (2) Using an existing nf-core/configs for your Institution e.g. `-profile crick` or `-profile uppmax`\n" + - " (3) Using your own local custom config e.g. `-c /path/to/your/custom.config`\n\n" + - "Please refer to the quick start section and usage docs for the pipeline.\n " + log.warn( + "[${workflow.manifest.name}] You are attempting to run the pipeline without any custom configuration!\n\n" + "This will be dependent on your local compute environment but can be achieved via one or more of the following:\n" + " (1) Using an existing pipeline profile e.g. `-profile docker` or `-profile singularity`\n" + " (2) Using an existing nf-core/configs for your Institution e.g. `-profile crick` or `-profile uppmax`\n" + " (3) Using your own local custom config e.g. `-c /path/to/your/custom.config`\n\n" + "Please refer to the quick start section and usage docs for the pipeline.\n " + ) valid_config = false } return valid_config @@ -49,12 +45,14 @@ def checkConfigProvided() { // def checkProfileProvided(nextflow_cli_args) { if (workflow.profile.endsWith(',')) { - error "The `-profile` option cannot end with a trailing comma, please remove it and re-run the pipeline!\n" + - "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + error( + "The `-profile` option cannot end with a trailing comma, please remove it and re-run the pipeline!\n" + "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + ) } if (nextflow_cli_args[0]) { - log.warn "nf-core pipelines do not accept positional arguments. The positional argument `${nextflow_cli_args[0]}` has been detected.\n" + - "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + log.warn( + "nf-core pipelines do not accept positional arguments. The positional argument `${nextflow_cli_args[0]}` has been detected.\n" + "HINT: A common mistake is to provide multiple values separated by spaces e.g. `-profile test, docker`.\n" + ) } } @@ -70,13 +68,7 @@ def workflowCitation() { manifest_doi.each { doi_ref -> temp_doi_ref += " https://doi.org/${doi_ref.replace('https://doi.org/', '').replace(' ', '')}\n" } - return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + - "* The pipeline\n" + - temp_doi_ref + "\n" + - "* The nf-core framework\n" + - " https://doi.org/10.1038/s41587-020-0439-x\n\n" + - "* Software dependencies\n" + - " https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md" + return "If you use ${workflow.manifest.name} for your analysis please cite:\n\n" + "* The pipeline\n" + temp_doi_ref + "\n" + "* The nf-core framework\n" + " https://doi.org/10.1038/s41587-020-0439-x\n\n" + "* Software dependencies\n" + " https://github.com/${workflow.manifest.name}/blob/master/CITATIONS.md" } // @@ -102,7 +94,7 @@ def getWorkflowVersion() { // def processVersionsFromYAML(yaml_file) { def yaml = new org.yaml.snakeyaml.Yaml() - def versions = yaml.load(yaml_file).collectEntries { k, v -> [ k.tokenize(':')[-1], v ] } + def versions = yaml.load(yaml_file).collectEntries { k, v -> [k.tokenize(':')[-1], v] } return yaml.dumpAsMap(versions).trim() } @@ -112,8 +104,8 @@ def processVersionsFromYAML(yaml_file) { def workflowVersionToYAML() { return """ Workflow: - $workflow.manifest.name: ${getWorkflowVersion()} - Nextflow: $workflow.nextflow.version + ${workflow.manifest.name}: ${getWorkflowVersion()} + Nextflow: ${workflow.nextflow.version} """.stripIndent().trim() } @@ -121,11 +113,7 @@ def workflowVersionToYAML() { // Get channel of software versions used in pipeline in YAML format // def softwareVersionsToYAML(ch_versions) { - return ch_versions - .unique() - .map { version -> processVersionsFromYAML(version) } - .unique() - .mix(Channel.of(workflowVersionToYAML())) + return ch_versions.unique().map { version -> processVersionsFromYAML(version) }.unique().mix(Channel.of(workflowVersionToYAML())) } // @@ -133,25 +121,31 @@ def softwareVersionsToYAML(ch_versions) { // def paramsSummaryMultiqc(summary_params) { def summary_section = '' - summary_params.keySet().each { group -> - def group_params = summary_params.get(group) // This gets the parameters of that particular group - if (group_params) { - summary_section += "

    $group

    \n" - summary_section += "
    \n" - group_params.keySet().sort().each { param -> - summary_section += "
    $param
    ${group_params.get(param) ?: 'N/A'}
    \n" + summary_params + .keySet() + .each { group -> + def group_params = summary_params.get(group) + // This gets the parameters of that particular group + if (group_params) { + summary_section += "

    ${group}

    \n" + summary_section += "
    \n" + group_params + .keySet() + .sort() + .each { param -> + summary_section += "
    ${param}
    ${group_params.get(param) ?: 'N/A'}
    \n" + } + summary_section += "
    \n" } - summary_section += "
    \n" } - } - def yaml_file_text = "id: '${workflow.manifest.name.replace('/','-')}-summary'\n" as String - yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" - yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" - yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" - yaml_file_text += "plot_type: 'html'\n" - yaml_file_text += "data: |\n" - yaml_file_text += "${summary_section}" + def yaml_file_text = "id: '${workflow.manifest.name.replace('/', '-')}-summary'\n" as String + yaml_file_text += "description: ' - this information is collected when the pipeline is started.'\n" + yaml_file_text += "section_name: '${workflow.manifest.name} Workflow Summary'\n" + yaml_file_text += "section_href: 'https://github.com/${workflow.manifest.name}'\n" + yaml_file_text += "plot_type: 'html'\n" + yaml_file_text += "data: |\n" + yaml_file_text += "${summary_section}" return yaml_file_text } @@ -199,54 +193,54 @@ def logColours(monochrome_logs=true) { colorcodes['hidden'] = monochrome_logs ? '' : "\033[8m" // Regular Colors - colorcodes['black'] = monochrome_logs ? '' : "\033[0;30m" - colorcodes['red'] = monochrome_logs ? '' : "\033[0;31m" - colorcodes['green'] = monochrome_logs ? '' : "\033[0;32m" - colorcodes['yellow'] = monochrome_logs ? '' : "\033[0;33m" - colorcodes['blue'] = monochrome_logs ? '' : "\033[0;34m" - colorcodes['purple'] = monochrome_logs ? '' : "\033[0;35m" - colorcodes['cyan'] = monochrome_logs ? '' : "\033[0;36m" - colorcodes['white'] = monochrome_logs ? '' : "\033[0;37m" + colorcodes['black'] = monochrome_logs ? '' : "\033[0;30m" + colorcodes['red'] = monochrome_logs ? '' : "\033[0;31m" + colorcodes['green'] = monochrome_logs ? '' : "\033[0;32m" + colorcodes['yellow'] = monochrome_logs ? '' : "\033[0;33m" + colorcodes['blue'] = monochrome_logs ? '' : "\033[0;34m" + colorcodes['purple'] = monochrome_logs ? '' : "\033[0;35m" + colorcodes['cyan'] = monochrome_logs ? '' : "\033[0;36m" + colorcodes['white'] = monochrome_logs ? '' : "\033[0;37m" // Bold - colorcodes['bblack'] = monochrome_logs ? '' : "\033[1;30m" - colorcodes['bred'] = monochrome_logs ? '' : "\033[1;31m" - colorcodes['bgreen'] = monochrome_logs ? '' : "\033[1;32m" - colorcodes['byellow'] = monochrome_logs ? '' : "\033[1;33m" - colorcodes['bblue'] = monochrome_logs ? '' : "\033[1;34m" - colorcodes['bpurple'] = monochrome_logs ? '' : "\033[1;35m" - colorcodes['bcyan'] = monochrome_logs ? '' : "\033[1;36m" - colorcodes['bwhite'] = monochrome_logs ? '' : "\033[1;37m" + colorcodes['bblack'] = monochrome_logs ? '' : "\033[1;30m" + colorcodes['bred'] = monochrome_logs ? '' : "\033[1;31m" + colorcodes['bgreen'] = monochrome_logs ? '' : "\033[1;32m" + colorcodes['byellow'] = monochrome_logs ? '' : "\033[1;33m" + colorcodes['bblue'] = monochrome_logs ? '' : "\033[1;34m" + colorcodes['bpurple'] = monochrome_logs ? '' : "\033[1;35m" + colorcodes['bcyan'] = monochrome_logs ? '' : "\033[1;36m" + colorcodes['bwhite'] = monochrome_logs ? '' : "\033[1;37m" // Underline - colorcodes['ublack'] = monochrome_logs ? '' : "\033[4;30m" - colorcodes['ured'] = monochrome_logs ? '' : "\033[4;31m" - colorcodes['ugreen'] = monochrome_logs ? '' : "\033[4;32m" - colorcodes['uyellow'] = monochrome_logs ? '' : "\033[4;33m" - colorcodes['ublue'] = monochrome_logs ? '' : "\033[4;34m" - colorcodes['upurple'] = monochrome_logs ? '' : "\033[4;35m" - colorcodes['ucyan'] = monochrome_logs ? '' : "\033[4;36m" - colorcodes['uwhite'] = monochrome_logs ? '' : "\033[4;37m" + colorcodes['ublack'] = monochrome_logs ? '' : "\033[4;30m" + colorcodes['ured'] = monochrome_logs ? '' : "\033[4;31m" + colorcodes['ugreen'] = monochrome_logs ? '' : "\033[4;32m" + colorcodes['uyellow'] = monochrome_logs ? '' : "\033[4;33m" + colorcodes['ublue'] = monochrome_logs ? '' : "\033[4;34m" + colorcodes['upurple'] = monochrome_logs ? '' : "\033[4;35m" + colorcodes['ucyan'] = monochrome_logs ? '' : "\033[4;36m" + colorcodes['uwhite'] = monochrome_logs ? '' : "\033[4;37m" // High Intensity - colorcodes['iblack'] = monochrome_logs ? '' : "\033[0;90m" - colorcodes['ired'] = monochrome_logs ? '' : "\033[0;91m" - colorcodes['igreen'] = monochrome_logs ? '' : "\033[0;92m" - colorcodes['iyellow'] = monochrome_logs ? '' : "\033[0;93m" - colorcodes['iblue'] = monochrome_logs ? '' : "\033[0;94m" - colorcodes['ipurple'] = monochrome_logs ? '' : "\033[0;95m" - colorcodes['icyan'] = monochrome_logs ? '' : "\033[0;96m" - colorcodes['iwhite'] = monochrome_logs ? '' : "\033[0;97m" + colorcodes['iblack'] = monochrome_logs ? '' : "\033[0;90m" + colorcodes['ired'] = monochrome_logs ? '' : "\033[0;91m" + colorcodes['igreen'] = monochrome_logs ? '' : "\033[0;92m" + colorcodes['iyellow'] = monochrome_logs ? '' : "\033[0;93m" + colorcodes['iblue'] = monochrome_logs ? '' : "\033[0;94m" + colorcodes['ipurple'] = monochrome_logs ? '' : "\033[0;95m" + colorcodes['icyan'] = monochrome_logs ? '' : "\033[0;96m" + colorcodes['iwhite'] = monochrome_logs ? '' : "\033[0;97m" // Bold High Intensity - colorcodes['biblack'] = monochrome_logs ? '' : "\033[1;90m" - colorcodes['bired'] = monochrome_logs ? '' : "\033[1;91m" - colorcodes['bigreen'] = monochrome_logs ? '' : "\033[1;92m" - colorcodes['biyellow'] = monochrome_logs ? '' : "\033[1;93m" - colorcodes['biblue'] = monochrome_logs ? '' : "\033[1;94m" - colorcodes['bipurple'] = monochrome_logs ? '' : "\033[1;95m" - colorcodes['bicyan'] = monochrome_logs ? '' : "\033[1;96m" - colorcodes['biwhite'] = monochrome_logs ? '' : "\033[1;97m" + colorcodes['biblack'] = monochrome_logs ? '' : "\033[1;90m" + colorcodes['bired'] = monochrome_logs ? '' : "\033[1;91m" + colorcodes['bigreen'] = monochrome_logs ? '' : "\033[1;92m" + colorcodes['biyellow'] = monochrome_logs ? '' : "\033[1;93m" + colorcodes['biblue'] = monochrome_logs ? '' : "\033[1;94m" + colorcodes['bipurple'] = monochrome_logs ? '' : "\033[1;95m" + colorcodes['bicyan'] = monochrome_logs ? '' : "\033[1;96m" + colorcodes['biwhite'] = monochrome_logs ? '' : "\033[1;97m" return colorcodes } @@ -261,14 +255,15 @@ def attachMultiqcReport(multiqc_report) { mqc_report = multiqc_report.getVal() if (mqc_report.getClass() == ArrayList && mqc_report.size() >= 1) { if (mqc_report.size() > 1) { - log.warn "[$workflow.manifest.name] Found multiple reports from process 'MULTIQC', will use only one" + log.warn("[${workflow.manifest.name}] Found multiple reports from process 'MULTIQC', will use only one") } mqc_report = mqc_report[0] } } - } catch (all) { + } + catch (Exception all) { if (multiqc_report) { - log.warn "[$workflow.manifest.name] Could not attach MultiQC report to summary email" + log.warn("[${workflow.manifest.name}] Could not attach MultiQC report to summary email") } } return mqc_report @@ -280,26 +275,35 @@ def attachMultiqcReport(multiqc_report) { def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdir, monochrome_logs=true, multiqc_report=null) { // Set up the e-mail variables - def subject = "[$workflow.manifest.name] Successful: $workflow.runName" + def subject = "[${workflow.manifest.name}] Successful: ${workflow.runName}" if (!workflow.success) { - subject = "[$workflow.manifest.name] FAILED: $workflow.runName" + subject = "[${workflow.manifest.name}] FAILED: ${workflow.runName}" } def summary = [:] - summary_params.keySet().sort().each { group -> - summary << summary_params[group] - } + summary_params + .keySet() + .sort() + .each { group -> + summary << summary_params[group] + } def misc_fields = [:] misc_fields['Date Started'] = workflow.start misc_fields['Date Completed'] = workflow.complete misc_fields['Pipeline script file path'] = workflow.scriptFile misc_fields['Pipeline script hash ID'] = workflow.scriptId - if (workflow.repository) misc_fields['Pipeline repository Git URL'] = workflow.repository - if (workflow.commitId) misc_fields['Pipeline repository Git Commit'] = workflow.commitId - if (workflow.revision) misc_fields['Pipeline Git branch/tag'] = workflow.revision - misc_fields['Nextflow Version'] = workflow.nextflow.version - misc_fields['Nextflow Build'] = workflow.nextflow.build + if (workflow.repository) { + misc_fields['Pipeline repository Git URL'] = workflow.repository + } + if (workflow.commitId) { + misc_fields['Pipeline repository Git Commit'] = workflow.commitId + } + if (workflow.revision) { + misc_fields['Pipeline Git branch/tag'] = workflow.revision + } + misc_fields['Nextflow Version'] = workflow.nextflow.version + misc_fields['Nextflow Build'] = workflow.nextflow.build misc_fields['Nextflow Compile Timestamp'] = workflow.nextflow.timestamp def email_fields = [:] @@ -337,7 +341,7 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi // Render the sendmail template def max_multiqc_email_size = (params.containsKey('max_multiqc_email_size') ? params.max_multiqc_email_size : 0) as nextflow.util.MemoryUnit - def smail_fields = [ email: email_address, subject: subject, email_txt: email_txt, email_html: email_html, projectDir: "${workflow.projectDir}", mqcFile: mqc_report, mqcMaxSize: max_multiqc_email_size.toBytes() ] + def smail_fields = [email: email_address, subject: subject, email_txt: email_txt, email_html: email_html, projectDir: "${workflow.projectDir}", mqcFile: mqc_report, mqcMaxSize: max_multiqc_email_size.toBytes()] def sf = new File("${workflow.projectDir}/assets/sendmail_template.txt") def sendmail_template = engine.createTemplate(sf).make(smail_fields) def sendmail_html = sendmail_template.toString() @@ -346,30 +350,32 @@ def completionEmail(summary_params, email, email_on_fail, plaintext_email, outdi def colors = logColours(monochrome_logs) as Map if (email_address) { try { - if (plaintext_email) { throw new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') } + if (plaintext_email) { +new org.codehaus.groovy.GroovyException('Send plaintext e-mail, not HTML') } // Try to send HTML e-mail using sendmail def sendmail_tf = new File(workflow.launchDir.toString(), ".sendmail_tmp.html") sendmail_tf.withWriter { w -> w << sendmail_html } - [ 'sendmail', '-t' ].execute() << sendmail_html - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (sendmail)-" - } catch (all) { + ['sendmail', '-t'].execute() << sendmail_html + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.green} Sent summary e-mail to ${email_address} (sendmail)-") + } + catch (Exception all) { // Catch failures and try with plaintext - def mail_cmd = [ 'mail', '-s', subject, '--content-type=text/html', email_address ] + def mail_cmd = ['mail', '-s', subject, '--content-type=text/html', email_address] mail_cmd.execute() << email_html - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Sent summary e-mail to $email_address (mail)-" + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.green} Sent summary e-mail to ${email_address} (mail)-") } } // Write summary e-mail HTML to a file def output_hf = new File(workflow.launchDir.toString(), ".pipeline_report.html") output_hf.withWriter { w -> w << email_html } - nextflow.extension.FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html"); + nextflow.extension.FilesEx.copyTo(output_hf.toPath(), "${outdir}/pipeline_info/pipeline_report.html") output_hf.delete() // Write summary e-mail TXT to a file def output_tf = new File(workflow.launchDir.toString(), ".pipeline_report.txt") output_tf.withWriter { w -> w << email_txt } - nextflow.extension.FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt"); + nextflow.extension.FilesEx.copyTo(output_tf.toPath(), "${outdir}/pipeline_info/pipeline_report.txt") output_tf.delete() } @@ -380,12 +386,14 @@ def completionSummary(monochrome_logs=true) { def colors = logColours(monochrome_logs) as Map if (workflow.success) { if (workflow.stats.ignoredCount == 0) { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.green} Pipeline completed successfully${colors.reset}-" - } else { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.yellow} Pipeline completed successfully, but with errored process(es) ${colors.reset}-" + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.green} Pipeline completed successfully${colors.reset}-") + } + else { + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.yellow} Pipeline completed successfully, but with errored process(es) ${colors.reset}-") } - } else { - log.info "-${colors.purple}[$workflow.manifest.name]${colors.red} Pipeline completed with errors${colors.reset}-" + } + else { + log.info("-${colors.purple}[${workflow.manifest.name}]${colors.red} Pipeline completed with errors${colors.reset}-") } } @@ -394,21 +402,30 @@ def completionSummary(monochrome_logs=true) { // def imNotification(summary_params, hook_url) { def summary = [:] - summary_params.keySet().sort().each { group -> - summary << summary_params[group] - } + summary_params + .keySet() + .sort() + .each { group -> + summary << summary_params[group] + } def misc_fields = [:] - misc_fields['start'] = workflow.start - misc_fields['complete'] = workflow.complete - misc_fields['scriptfile'] = workflow.scriptFile - misc_fields['scriptid'] = workflow.scriptId - if (workflow.repository) misc_fields['repository'] = workflow.repository - if (workflow.commitId) misc_fields['commitid'] = workflow.commitId - if (workflow.revision) misc_fields['revision'] = workflow.revision - misc_fields['nxf_version'] = workflow.nextflow.version - misc_fields['nxf_build'] = workflow.nextflow.build - misc_fields['nxf_timestamp'] = workflow.nextflow.timestamp + misc_fields['start'] = workflow.start + misc_fields['complete'] = workflow.complete + misc_fields['scriptfile'] = workflow.scriptFile + misc_fields['scriptid'] = workflow.scriptId + if (workflow.repository) { + misc_fields['repository'] = workflow.repository + } + if (workflow.commitId) { + misc_fields['commitid'] = workflow.commitId + } + if (workflow.revision) { + misc_fields['revision'] = workflow.revision + } + misc_fields['nxf_version'] = workflow.nextflow.version + misc_fields['nxf_build'] = workflow.nextflow.build + misc_fields['nxf_timestamp'] = workflow.nextflow.timestamp def msg_fields = [:] msg_fields['version'] = getWorkflowVersion() @@ -433,13 +450,13 @@ def imNotification(summary_params, hook_url) { def json_message = json_template.toString() // POST - def post = new URL(hook_url).openConnection(); + def post = new URL(hook_url).openConnection() post.setRequestMethod("POST") post.setDoOutput(true) post.setRequestProperty("Content-Type", "application/json") - post.getOutputStream().write(json_message.getBytes("UTF-8")); - def postRC = post.getResponseCode(); - if (! postRC.equals(200)) { - log.warn(post.getErrorStream().getText()); + post.getOutputStream().write(json_message.getBytes("UTF-8")) + def postRC = post.getResponseCode() + if (!postRC.equals(200)) { + log.warn(post.getErrorStream().getText()) } } From d80274fec0eb0c3ff7647ca2a936e332ba05366c Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Fri, 11 Oct 2024 12:34:55 +0000 Subject: [PATCH 15/70] Template update for nf-core/tools version 3.0.2 --- .github/workflows/ci.yml | 60 +++++++++++++------ .../workflows/template_version_comment.yml | 21 ++++--- .gitignore | 1 + .nf-core.yml | 2 +- main.nf | 2 +- modules.json | 6 +- modules/nf-core/multiqc/main.nf | 2 +- nextflow.config | 4 +- .../local/utils_nfcore_mag_pipeline/main.nf | 4 +- .../nf-core/utils_nextflow_pipeline/main.nf | 30 +++++----- .../nf-core/utils_nfcore_pipeline/main.nf | 10 ++-- workflows/mag.nf | 2 - 12 files changed, 86 insertions(+), 58 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 3e6ab14d..ccb0d1e5 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -11,6 +11,8 @@ on: env: NXF_ANSI_LOG: false + NXF_SINGULARITY_CACHEDIR: ${{ github.workspace }}/.singularity + NXF_SINGULARITY_LIBRARYDIR: ${{ github.workspace }}/.singularity concurrency: group: "${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}" @@ -18,7 +20,7 @@ concurrency: jobs: test: - name: Run pipeline with test data + name: "Run pipeline with test data (${{ matrix.NXF_VER }} | ${{ matrix.test_name }} | ${{ matrix.profile }})" # Only run on push if this is the nf-core dev branch (merged PRs) if: "${{ github.event_name != 'push' || (github.event_name == 'push' && github.repository == 'nf-core/mag') }}" runs-on: ubuntu-latest @@ -27,33 +29,57 @@ jobs: NXF_VER: - "24.04.2" - "latest-everything" + profile: + - "conda" + - "docker" + - "singularity" + test_name: + - "test" + isMaster: + - ${{ github.base_ref == 'master' }} + # Exclude conda and singularity on dev + exclude: + - isMaster: false + profile: "conda" + - isMaster: false + profile: "singularity" steps: - name: Check out pipeline code uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 - - name: Install Nextflow + - name: Set up Nextflow uses: nf-core/setup-nextflow@v2 with: version: "${{ matrix.NXF_VER }}" - - name: Disk space cleanup - uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 + - name: Set up Apptainer + if: matrix.profile == 'singularity' + uses: eWaterCycle/setup-apptainer@main - - name: Run pipeline with test data (docker) - # TODO nf-core: You can customise CI pipeline run tests as required - # For example: adding multiple test runs with different parameters - # Remember that you can parallelise this by using strategy.matrix + - name: Set up Singularity + if: matrix.profile == 'singularity' run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,docker --outdir ./results + mkdir -p $NXF_SINGULARITY_CACHEDIR + mkdir -p $NXF_SINGULARITY_LIBRARYDIR + + - name: Set up Miniconda + if: matrix.profile == 'conda' + uses: conda-incubator/setup-miniconda@a4260408e20b96e80095f42ff7f1a15b27dd94ca # v3 + with: + miniconda-version: "latest" + auto-update-conda: true + conda-solver: libmamba + channels: conda-forge,bioconda - - name: Run pipeline with test data (singularity) - # TODO nf-core: You can customise CI pipeline run tests as required + - name: Set up Conda + if: matrix.profile == 'conda' run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,singularity --outdir ./results - if: "${{ github.base_ref == 'master' }}" + echo $(realpath $CONDA)/condabin >> $GITHUB_PATH + echo $(realpath python) >> $GITHUB_PATH + + - name: Clean up Disk space + uses: jlumbroso/free-disk-space@54081f138730dfa15788a46383842cd2f914a1be # v1.3.1 - - name: Run pipeline with test data (conda) - # TODO nf-core: You can customise CI pipeline run tests as required + - name: "Run pipeline with test data ${{ matrix.NXF_VER }} | ${{ matrix.test_name }} | ${{ matrix.profile }}" run: | - nextflow run ${GITHUB_WORKSPACE} -profile test,conda --outdir ./results - if: "${{ github.base_ref == 'master' }}" + nextflow run ${GITHUB_WORKSPACE} -profile ${{ matrix.test_name }},${{ matrix.profile }} --outdir ./results diff --git a/.github/workflows/template_version_comment.yml b/.github/workflows/template_version_comment.yml index 9dea41f0..e8aafe44 100644 --- a/.github/workflows/template_version_comment.yml +++ b/.github/workflows/template_version_comment.yml @@ -10,9 +10,11 @@ jobs: steps: - name: Check out pipeline code uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + with: + ref: ${{ github.event.pull_request.head.sha }} - name: Read template version from .nf-core.yml - uses: pietrobolcato/action-read-yaml@1.0.0 + uses: nichmor/minimal-read-yaml@v0.0.2 id: read_yml with: config: ${{ github.workspace }}/.nf-core.yml @@ -24,20 +26,21 @@ jobs: - name: Check nf-core outdated id: nf_core_outdated - run: pip list --outdated | grep nf-core + run: echo "OUTPUT=$(pip list --outdated | grep nf-core)" >> ${GITHUB_ENV} - name: Post nf-core template version comment uses: mshick/add-pr-comment@b8f338c590a895d50bcbfa6c5859251edc8952fc # v2 if: | - ${{ steps.nf_core_outdated.outputs.stdout }} =~ 'nf-core' + contains(env.OUTPUT, 'nf-core') with: repo-token: ${{ secrets.NF_CORE_BOT_AUTH_TOKEN }} allow-repeats: false message: | - ## :warning: Newer version of the nf-core template is available. - - Your pipeline is using an old version of the nf-core template: ${{ steps.read_yml.outputs['nf_core_version'] }}. - Please update your pipeline to the latest version. - - For more documentation on how to update your pipeline, please see the [nf-core documentation](https://github.com/nf-core/tools?tab=readme-ov-file#sync-a-pipeline-with-the-template) and [Synchronisation documentation](https://nf-co.re/docs/contributing/sync). + > [!WARNING] + > Newer version of the nf-core template is available. + > + > Your pipeline is using an old version of the nf-core template: ${{ steps.read_yml.outputs['nf_core_version'] }}. + > Please update your pipeline to the latest version. + > + > For more documentation on how to update your pipeline, please see the [nf-core documentation](https://github.com/nf-core/tools?tab=readme-ov-file#sync-a-pipeline-with-the-template) and [Synchronisation documentation](https://nf-co.re/docs/contributing/sync). # diff --git a/.gitignore b/.gitignore index 5124c9ac..a42ce016 100644 --- a/.gitignore +++ b/.gitignore @@ -6,3 +6,4 @@ results/ testing/ testing* *.pyc +null/ diff --git a/.nf-core.yml b/.nf-core.yml index 87110bdf..e6a21023 100644 --- a/.nf-core.yml +++ b/.nf-core.yml @@ -6,7 +6,7 @@ lint: - config_defaults: - params.phix_reference - params.lambda_reference -nf_core_version: 3.0.1 +nf_core_version: 3.0.2 org_path: null repository_type: pipeline template: diff --git a/main.nf b/main.nf index 730f8f3d..037c6fcb 100644 --- a/main.nf +++ b/main.nf @@ -76,7 +76,7 @@ workflow { params.outdir, params.input ) - + // // WORKFLOW: Run main workflow // diff --git a/modules.json b/modules.json index bfe02a87..0e7baa5b 100644 --- a/modules.json +++ b/modules.json @@ -12,7 +12,7 @@ }, "multiqc": { "branch": "master", - "git_sha": "b8d36829fa84b6e404364abff787e8b07f6d058c", + "git_sha": "cf17ca47590cc578dfb47db1c2a44ef86f89976d", "installed_by": ["modules"] } } @@ -21,12 +21,12 @@ "nf-core": { "utils_nextflow_pipeline": { "branch": "master", - "git_sha": "9d05360da397692321d377b6102d2fb22507c6ef", + "git_sha": "3aa0aec1d52d492fe241919f0c6100ebf0074082", "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", - "git_sha": "772684d9d66f37b650c8ba5146ac1ee3ecba2acb", + "git_sha": "1b6b9a3338d011367137808b49b923515080e3ba", "installed_by": ["subworkflows"] }, "utils_nfschema_plugin": { diff --git a/modules/nf-core/multiqc/main.nf b/modules/nf-core/multiqc/main.nf index 9724d2f3..cc0643e1 100644 --- a/modules/nf-core/multiqc/main.nf +++ b/modules/nf-core/multiqc/main.nf @@ -52,7 +52,7 @@ process MULTIQC { stub: """ mkdir multiqc_data - touch multiqc_plots + mkdir multiqc_plots touch multiqc_report.html cat <<-END_VERSIONS > versions.yml diff --git a/nextflow.config b/nextflow.config index 6010784d..7dd36830 100644 --- a/nextflow.config +++ b/nextflow.config @@ -254,10 +254,10 @@ validation { """ afterText = """${manifest.doi ? "* The pipeline\n" : ""}${manifest.doi.tokenize(",").collect { " https://doi.org/${it.trim().replace('https://doi.org/','')}"}.join("\n")}${manifest.doi ? "\n" : ""} * The nf-core framework - https://doi.org/10.1038/s41587-020-0439-x + https://doi.org/10.1038/s41587-020-0439-x * Software dependencies - https://github.com/${manifest.name}/blob/master/CITATIONS.md + https://github.com/${manifest.name}/blob/master/CITATIONS.md """ } summary { diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index edefc259..0cb9e155 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -47,7 +47,6 @@ workflow PIPELINE_INITIALISATION { workflow.profile.tokenize(',').intersect(['conda', 'mamba']).size() >= 1 ) - // // Validate parameters and generate parameter summary to stdout // @@ -56,7 +55,6 @@ workflow PIPELINE_INITIALISATION { validate_params, null ) - // // Check config provided to the pipeline @@ -64,6 +62,7 @@ workflow PIPELINE_INITIALISATION { UTILS_NFCORE_PIPELINE ( nextflow_cli_args ) + // // Custom validation for pipeline parameters // @@ -110,7 +109,6 @@ workflow PIPELINE_COMPLETION { email // string: email address email_on_fail // string: email address sent on pipeline failure plaintext_email // boolean: Send plain-text email instead of HTML - outdir // path: Path to output directory where results will be published monochrome_logs // boolean: Disable ANSI colour codes in log output hook_url // string: hook URL for notifications diff --git a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf index 2b0dc67a..0fcbf7b3 100644 --- a/subworkflows/nf-core/utils_nextflow_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nextflow_pipeline/main.nf @@ -3,9 +3,9 @@ // /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NEXTFLOW_PIPELINE { @@ -44,9 +44,9 @@ workflow UTILS_NEXTFLOW_PIPELINE { } /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -106,17 +106,19 @@ def checkCondaChannels() { def channels_missing = ((required_channels_in_order as Set) - (channels as Set)) as Boolean // Check that they are in the right order - def channel_priority_violation = false - - required_channels_in_order.eachWithIndex { channel, index -> - if (index < required_channels_in_order.size() - 1) { - channel_priority_violation |= !(channels.indexOf(channel) < channels.indexOf(required_channels_in_order[index + 1])) - } - } + def channel_priority_violation = required_channels_in_order != channels.findAll { ch -> ch in required_channels_in_order } if (channels_missing | channel_priority_violation) { - log.warn( - "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + " There is a problem with your Conda configuration!\n\n" + " You will need to set-up the conda-forge and bioconda channels correctly.\n" + " Please refer to https://bioconda.github.io/\n" + " The observed channel order is \n" + " ${channels}\n" + " but the following channel order is required:\n" + " ${required_channels_in_order}\n" + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" - ) + log.warn """\ + ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + There is a problem with your Conda configuration! + You will need to set-up the conda-forge and bioconda channels correctly. + Please refer to https://bioconda.github.io/ + The observed channel order is + ${channels} + but the following channel order is required: + ${required_channels_in_order} + ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + """.stripIndent(true) } } diff --git a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf index b78273ca..5cb7bafe 100644 --- a/subworkflows/nf-core/utils_nfcore_pipeline/main.nf +++ b/subworkflows/nf-core/utils_nfcore_pipeline/main.nf @@ -3,9 +3,9 @@ // /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ SUBWORKFLOW DEFINITION -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ workflow UTILS_NFCORE_PIPELINE { @@ -21,9 +21,9 @@ workflow UTILS_NFCORE_PIPELINE { } /* -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ FUNCTIONS -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */ // @@ -62,7 +62,7 @@ def checkProfileProvided(nextflow_cli_args) { def workflowCitation() { def temp_doi_ref = "" def manifest_doi = workflow.manifest.doi.tokenize(",") - // Using a loop to handle multiple DOIs + // Handling multiple DOIs // Removing `https://doi.org/` to handle pipelines using DOIs vs DOI resolvers // Removing ` ` since the manifest.doi is a string and not a proper list manifest_doi.each { doi_ref -> diff --git a/workflows/mag.nf b/workflows/mag.nf index b938b8df..ef031484 100644 --- a/workflows/mag.nf +++ b/workflows/mag.nf @@ -57,13 +57,11 @@ workflow MAG { Channel.fromPath(params.multiqc_logo, checkIfExists: true) : Channel.empty() - summary_params = paramsSummaryMap( workflow, parameters_schema: "nextflow_schema.json") ch_workflow_summary = Channel.value(paramsSummaryMultiqc(summary_params)) ch_multiqc_files = ch_multiqc_files.mix( ch_workflow_summary.collectFile(name: 'workflow_summary_mqc.yaml')) - ch_multiqc_custom_methods_description = params.multiqc_methods_description ? file(params.multiqc_methods_description, checkIfExists: true) : file("$projectDir/assets/methods_description_template.yml", checkIfExists: true) From b4b81a1a13dad81fc826c91b32e2169d983244c6 Mon Sep 17 00:00:00 2001 From: d4straub Date: Fri, 11 Oct 2024 16:19:44 +0200 Subject: [PATCH 16/70] output multiple depth files --- modules/local/convert_depths.nf | 14 +++++++++++--- 1 file changed, 11 insertions(+), 3 deletions(-) diff --git a/modules/local/convert_depths.nf b/modules/local/convert_depths.nf index f61e0c29..9d6f0e67 100644 --- a/modules/local/convert_depths.nf +++ b/modules/local/convert_depths.nf @@ -11,14 +11,22 @@ process CONVERT_DEPTHS { output: // need to add empty val because representing reads as we dont want maxbin to calculate for us. - tuple val(meta), path(fasta), val([]), path("*_mb2_depth.txt"), emit: output - path "versions.yml" , emit: versions + tuple val(meta), path(fasta), val([]), path("*_mb2_depth_*.txt"), emit: output + path "versions.yml" , emit: versions script: def prefix = task.ext.prefix ?: "${meta.id}" """ gunzip -f $depth - bioawk -t '{ { if (NR > 1) { { print \$1, \$3 } } } }' ${depth.toString() - '.gz'} > ${prefix}_mb2_depth.txt + + # Determine the number of abundance columns + n_abund=\$(awk 'NR==1 {print int((NF-3)/2)}' ${depth.toString() - '.gz'}) + + # Generate abundance files for each read set + for i in \$(seq 1 \$n_abund); do + col=\$((i*2+2)) + bioawk -t '{if (NR > 1) {print \$1, \$'"\$col"'}}' ${depth.toString() - '.gz'} > ${prefix}_mb2_depth_\$i.txt + done cat <<-END_VERSIONS > versions.yml "${task.process}": From a6a0732b3b221757f1e13559fd38b9ef63e6aae3 Mon Sep 17 00:00:00 2001 From: d4straub Date: Fri, 11 Oct 2024 16:20:37 +0200 Subject: [PATCH 17/70] accept multiple depth files --- modules/nf-core/maxbin2/main.nf | 13 +++++++++++-- 1 file changed, 11 insertions(+), 2 deletions(-) diff --git a/modules/nf-core/maxbin2/main.nf b/modules/nf-core/maxbin2/main.nf index d5f49344..f67f64d0 100644 --- a/modules/nf-core/maxbin2/main.nf +++ b/modules/nf-core/maxbin2/main.nf @@ -18,7 +18,8 @@ process MAXBIN2 { tuple val(meta), path("*.noclass.gz") , emit: unbinned_fasta tuple val(meta), path("*.tooshort.gz"), emit: tooshort_fasta tuple val(meta), path("*_bin.tar.gz") , emit: marker_bins , optional: true - tuple val(meta), path("*_gene.tar.gz"), emit: marker_genes, optional: true + tuple val(meta), path("*.abundance") , emit: marker_genes, optional: true + tuple val(meta), path("*_gene.tar.gz"), emit: abundance , optional: true path "versions.yml" , emit: versions when: @@ -27,7 +28,15 @@ process MAXBIN2 { script: def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" - def associate_files = reads ? "-reads $reads" : "-abund $abund" + def associate_files = "" + if ( reads ) { + associate_files = "-reads $reads" + } else if ( abund instanceof List ) { + associate_files = "-abund ${abund[0]}" + for (i in 2..abund.size()) { associate_files += " -abund$i ${abund[i-1]}" } + } else { + associate_files = "-abund $abund" + } """ mkdir input/ && mv $contigs input/ run_MaxBin.pl \\ From 0184057a01118ff1ae52bb98ee96657cfbede240 Mon Sep 17 00:00:00 2001 From: d4straub Date: Fri, 11 Oct 2024 16:20:55 +0200 Subject: [PATCH 18/70] update CHANGELOG --- CHANGELOG.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 494e967b..31a83120 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -11,6 +11,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Fixed` +- [#690](https://github.com/nf-core/mag/pull/690) - MaxBin2 is using the abundance information from different samples now as expected (reported by @uel3 and fixed by @d4straub) + ### `Dependencies` ### `Deprecated` From a2ffbf0c40b6b2e695162a29ba559183aa97a547 Mon Sep 17 00:00:00 2001 From: d4straub Date: Fri, 11 Oct 2024 16:28:41 +0200 Subject: [PATCH 19/70] nf-core modules patch --- modules.json | 211 ++++++++++++++++++++------- modules/nf-core/maxbin2/main.nf | 4 +- modules/nf-core/maxbin2/maxbin2.diff | 30 ++++ 3 files changed, 190 insertions(+), 55 deletions(-) create mode 100644 modules/nf-core/maxbin2/maxbin2.diff diff --git a/modules.json b/modules.json index 5f4eb8bb..368d8685 100644 --- a/modules.json +++ b/modules.json @@ -8,244 +8,341 @@ "adapterremoval": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "aria2": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/aria2/aria2.diff" }, "bbmap/bbnorm": { "branch": "master", "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "bcftools/consensus": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "bcftools/index": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "bcftools/view": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "cat/fastq": { "branch": "master", "git_sha": "5c460c5a4736974abde2843294f35307ee2b0e5e", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "centrifuge/centrifuge": { "branch": "master", "git_sha": "9a07a1293d9b818d1e06d0f7b58152f74d462012", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "centrifuge/kreport": { "branch": "master", "git_sha": "9a07a1293d9b818d1e06d0f7b58152f74d462012", - "installed_by": ["modules"], + "installed_by": [ + "modules" + ], "patch": "modules/nf-core/centrifuge/kreport/centrifuge-kreport.diff" }, "checkm/lineagewf": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "checkm/qa": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "concoct/concoct": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": ["fasta_binning_concoct"] + "installed_by": [ + "fasta_binning_concoct" + ] }, "concoct/concoctcoveragetable": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": ["fasta_binning_concoct"] + "installed_by": [ + "fasta_binning_concoct" + ] }, "concoct/cutupfasta": { "branch": "master", "git_sha": "73a6d7e6077b88aba1c5d6805635d79d6718270c", - "installed_by": ["fasta_binning_concoct"] + "installed_by": [ + "fasta_binning_concoct" + ] }, "concoct/extractfastabins": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": ["fasta_binning_concoct"] + "installed_by": [ + "fasta_binning_concoct" + ] }, "concoct/mergecutupclustering": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": ["fasta_binning_concoct"] + "installed_by": [ + "fasta_binning_concoct" + ] }, "dastool/dastool": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "dastool/fastatocontig2bin": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "fastp": { "branch": "master", "git_sha": "d497a4868ace3302016ea8ed4b395072d5e833cd", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "fastqc": { "branch": "master", "git_sha": "285a50500f9e02578d90b3ce6382ea3c30216acd", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "freebayes": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "genomad/download": { "branch": "master", "git_sha": "ca813f3f73adedf3547a5a677e992d9d43a71870", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "genomad/endtoend": { "branch": "master", "git_sha": "ca813f3f73adedf3547a5a677e992d9d43a71870", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gtdbtk/classifywf": { "branch": "master", "git_sha": "7b9ce4b817926f17ec82cc0099d2d0ff095a2fac", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gunc/downloaddb": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gunc/mergecheckm": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gunc/run": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "gunzip": { "branch": "master", "git_sha": "e06548bfa36ee31869b81041879dd6b3a83b1d57", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "krakentools/kreport2krona": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "krona/kronadb": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "krona/ktimporttaxonomy": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "maxbin2": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ], + "patch": "modules/nf-core/maxbin2/maxbin2.diff" }, "metabat2/jgisummarizebamcontigdepths": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "metabat2/metabat2": { "branch": "master", "git_sha": "d2e220fdec3aa2f4482c70017df4cdf8a4c94f27", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "metaeuk/easypredict": { "branch": "master", "git_sha": "30d06da5bd7ae67be32758bf512cd75a4325d386", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "mmseqs/databases": { "branch": "master", "git_sha": "699e078133f580548aeb43114f93ac29928c6143", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "multiqc": { "branch": "master", "git_sha": "b7ebe95761cd389603f9cc0e0dc384c0f663815a", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "nanolyse": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "nanoplot": { "branch": "master", "git_sha": "3135090b46f308a260fc9d5991d7d2f9c0785309", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "porechop/porechop": { "branch": "master", "git_sha": "1d68c7f248d1a480c5959548a9234602b771199e", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "prodigal": { "branch": "master", "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "prokka": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "pydamage/analyze": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "pydamage/filter": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "samtools/faidx": { "branch": "master", "git_sha": "fd742419940e01ba1c5ecb172c3e32ec840662fe", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "seqtk/mergepe": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "tiara/tiara": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] }, "untar": { "branch": "master", "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", - "installed_by": ["modules"] + "installed_by": [ + "modules" + ] } } }, @@ -254,25 +351,33 @@ "fasta_binning_concoct": { "branch": "master", "git_sha": "c60c14b285b89bdd0607e371417dadb80385ad6e", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] }, "utils_nextflow_pipeline": { "branch": "master", "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] }, "utils_nfcore_pipeline": { "branch": "master", "git_sha": "92de218a329bfc9a9033116eb5f65fd270e72ba3", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] }, "utils_nfvalidation_plugin": { "branch": "master", "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", - "installed_by": ["subworkflows"] + "installed_by": [ + "subworkflows" + ] } } } } } -} +} \ No newline at end of file diff --git a/modules/nf-core/maxbin2/main.nf b/modules/nf-core/maxbin2/main.nf index f67f64d0..5c558856 100644 --- a/modules/nf-core/maxbin2/main.nf +++ b/modules/nf-core/maxbin2/main.nf @@ -18,8 +18,8 @@ process MAXBIN2 { tuple val(meta), path("*.noclass.gz") , emit: unbinned_fasta tuple val(meta), path("*.tooshort.gz"), emit: tooshort_fasta tuple val(meta), path("*_bin.tar.gz") , emit: marker_bins , optional: true - tuple val(meta), path("*.abundance") , emit: marker_genes, optional: true - tuple val(meta), path("*_gene.tar.gz"), emit: abundance , optional: true + tuple val(meta), path("*.abundance") , emit: abundance , optional: true + tuple val(meta), path("*_gene.tar.gz"), emit: marker_genes, optional: true path "versions.yml" , emit: versions when: diff --git a/modules/nf-core/maxbin2/maxbin2.diff b/modules/nf-core/maxbin2/maxbin2.diff new file mode 100644 index 00000000..5f7e04c6 --- /dev/null +++ b/modules/nf-core/maxbin2/maxbin2.diff @@ -0,0 +1,30 @@ +Changes in module 'nf-core/maxbin2' +--- modules/nf-core/maxbin2/main.nf ++++ modules/nf-core/maxbin2/main.nf +@@ -18,6 +18,7 @@ + tuple val(meta), path("*.noclass.gz") , emit: unbinned_fasta + tuple val(meta), path("*.tooshort.gz"), emit: tooshort_fasta + tuple val(meta), path("*_bin.tar.gz") , emit: marker_bins , optional: true ++ tuple val(meta), path("*.abundance") , emit: abundance , optional: true + tuple val(meta), path("*_gene.tar.gz"), emit: marker_genes, optional: true + path "versions.yml" , emit: versions + +@@ -27,7 +28,15 @@ + script: + def args = task.ext.args ?: '' + def prefix = task.ext.prefix ?: "${meta.id}" +- def associate_files = reads ? "-reads $reads" : "-abund $abund" ++ def associate_files = "" ++ if ( reads ) { ++ associate_files = "-reads $reads" ++ } else if ( abund instanceof List ) { ++ associate_files = "-abund ${abund[0]}" ++ for (i in 2..abund.size()) { associate_files += " -abund$i ${abund[i-1]}" } ++ } else { ++ associate_files = "-abund $abund" ++ } + """ + mkdir input/ && mv $contigs input/ + run_MaxBin.pl \\ + +************************************************************ From a17b1a4b852a4e88fc515adedd03ff4ec2619537 Mon Sep 17 00:00:00 2001 From: d4straub Date: Fri, 11 Oct 2024 16:35:53 +0200 Subject: [PATCH 20/70] nf-core modules patch now for modules.json --- modules.json | 210 +++++++++++++-------------------------------------- 1 file changed, 53 insertions(+), 157 deletions(-) diff --git a/modules.json b/modules.json index 368d8685..63fbc190 100644 --- a/modules.json +++ b/modules.json @@ -8,341 +8,245 @@ "adapterremoval": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "aria2": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/aria2/aria2.diff" }, "bbmap/bbnorm": { "branch": "master", "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "bcftools/consensus": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "bcftools/index": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "bcftools/view": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "cat/fastq": { "branch": "master", "git_sha": "5c460c5a4736974abde2843294f35307ee2b0e5e", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "centrifuge/centrifuge": { "branch": "master", "git_sha": "9a07a1293d9b818d1e06d0f7b58152f74d462012", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "centrifuge/kreport": { "branch": "master", "git_sha": "9a07a1293d9b818d1e06d0f7b58152f74d462012", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/centrifuge/kreport/centrifuge-kreport.diff" }, "checkm/lineagewf": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "checkm/qa": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "concoct/concoct": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": [ - "fasta_binning_concoct" - ] + "installed_by": ["fasta_binning_concoct"] }, "concoct/concoctcoveragetable": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": [ - "fasta_binning_concoct" - ] + "installed_by": ["fasta_binning_concoct"] }, "concoct/cutupfasta": { "branch": "master", "git_sha": "73a6d7e6077b88aba1c5d6805635d79d6718270c", - "installed_by": [ - "fasta_binning_concoct" - ] + "installed_by": ["fasta_binning_concoct"] }, "concoct/extractfastabins": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": [ - "fasta_binning_concoct" - ] + "installed_by": ["fasta_binning_concoct"] }, "concoct/mergecutupclustering": { "branch": "master", "git_sha": "baa30accc6c50ea8a98662417d4f42ed18966353", - "installed_by": [ - "fasta_binning_concoct" - ] + "installed_by": ["fasta_binning_concoct"] }, "dastool/dastool": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "dastool/fastatocontig2bin": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "fastp": { "branch": "master", "git_sha": "d497a4868ace3302016ea8ed4b395072d5e833cd", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "fastqc": { "branch": "master", "git_sha": "285a50500f9e02578d90b3ce6382ea3c30216acd", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "freebayes": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "genomad/download": { "branch": "master", "git_sha": "ca813f3f73adedf3547a5a677e992d9d43a71870", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "genomad/endtoend": { "branch": "master", "git_sha": "ca813f3f73adedf3547a5a677e992d9d43a71870", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gtdbtk/classifywf": { "branch": "master", "git_sha": "7b9ce4b817926f17ec82cc0099d2d0ff095a2fac", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gunc/downloaddb": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gunc/mergecheckm": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gunc/run": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "gunzip": { "branch": "master", "git_sha": "e06548bfa36ee31869b81041879dd6b3a83b1d57", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "krakentools/kreport2krona": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "krona/kronadb": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "krona/ktimporttaxonomy": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "maxbin2": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ], + "installed_by": ["modules"], "patch": "modules/nf-core/maxbin2/maxbin2.diff" }, "metabat2/jgisummarizebamcontigdepths": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "metabat2/metabat2": { "branch": "master", "git_sha": "d2e220fdec3aa2f4482c70017df4cdf8a4c94f27", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "metaeuk/easypredict": { "branch": "master", "git_sha": "30d06da5bd7ae67be32758bf512cd75a4325d386", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "mmseqs/databases": { "branch": "master", "git_sha": "699e078133f580548aeb43114f93ac29928c6143", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "multiqc": { "branch": "master", "git_sha": "b7ebe95761cd389603f9cc0e0dc384c0f663815a", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "nanolyse": { "branch": "master", "git_sha": "3f5420aa22e00bd030a2556dfdffc9e164ec0ec5", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "nanoplot": { "branch": "master", "git_sha": "3135090b46f308a260fc9d5991d7d2f9c0785309", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "porechop/porechop": { "branch": "master", "git_sha": "1d68c7f248d1a480c5959548a9234602b771199e", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "prodigal": { "branch": "master", "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "prokka": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "pydamage/analyze": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "pydamage/filter": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "samtools/faidx": { "branch": "master", "git_sha": "fd742419940e01ba1c5ecb172c3e32ec840662fe", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "seqtk/mergepe": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "tiara/tiara": { "branch": "master", "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] }, "untar": { "branch": "master", "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", - "installed_by": [ - "modules" - ] + "installed_by": ["modules"] } } }, @@ -351,33 +255,25 @@ "fasta_binning_concoct": { "branch": "master", "git_sha": "c60c14b285b89bdd0607e371417dadb80385ad6e", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] }, "utils_nextflow_pipeline": { "branch": "master", "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] }, "utils_nfcore_pipeline": { "branch": "master", "git_sha": "92de218a329bfc9a9033116eb5f65fd270e72ba3", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] }, "utils_nfvalidation_plugin": { "branch": "master", "git_sha": "5caf7640a9ef1d18d765d55339be751bb0969dfa", - "installed_by": [ - "subworkflows" - ] + "installed_by": ["subworkflows"] } } } } } -} \ No newline at end of file +} From a29b48bbbc0cb5f9d752d7ca65f11ea4d8b36c24 Mon Sep 17 00:00:00 2001 From: d4straub Date: Mon, 14 Oct 2024 09:39:31 +0200 Subject: [PATCH 21/70] publish summary and abundance files in results --- conf/modules.config | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/conf/modules.config b/conf/modules.config index b226ba01..be9fb47b 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -657,6 +657,11 @@ process { path: { "${params.outdir}/GenomeBinning/MaxBin2/discarded" }, mode: params.publish_dir_mode, pattern: '*.tooshort.gz' + ], + [ + path: { "${params.outdir}/GenomeBinning/MaxBin2/" }, + mode: params.publish_dir_mode, + pattern: '*.{summary,abundance}' ] ] ext.prefix = { "${meta.assembler}-MaxBin2-${meta.id}" } From cde08a898715a5a1da4bdb5012613340fbacc6ab Mon Sep 17 00:00:00 2001 From: d4straub Date: Mon, 14 Oct 2024 12:57:52 +0200 Subject: [PATCH 22/70] use sample names for MaxBin2 abund --- modules/local/convert_depths.nf | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/modules/local/convert_depths.nf b/modules/local/convert_depths.nf index 9d6f0e67..0c54e5c6 100644 --- a/modules/local/convert_depths.nf +++ b/modules/local/convert_depths.nf @@ -11,8 +11,8 @@ process CONVERT_DEPTHS { output: // need to add empty val because representing reads as we dont want maxbin to calculate for us. - tuple val(meta), path(fasta), val([]), path("*_mb2_depth_*.txt"), emit: output - path "versions.yml" , emit: versions + tuple val(meta), path(fasta), val([]), path("*.abund"), emit: output + path "versions.yml" , emit: versions script: def prefix = task.ext.prefix ?: "${meta.id}" @@ -22,10 +22,15 @@ process CONVERT_DEPTHS { # Determine the number of abundance columns n_abund=\$(awk 'NR==1 {print int((NF-3)/2)}' ${depth.toString() - '.gz'}) + # Get column names + read -r header<${depth.toString() - '.gz'} + header=(\$header) + # Generate abundance files for each read set for i in \$(seq 1 \$n_abund); do col=\$((i*2+2)) - bioawk -t '{if (NR > 1) {print \$1, \$'"\$col"'}}' ${depth.toString() - '.gz'} > ${prefix}_mb2_depth_\$i.txt + name=\$( echo \${header[\$col-1]} | sed s/\\.bam\$// ) + bioawk -t '{if (NR > 1) {print \$1, \$'"\$col"'}}' ${depth.toString() - '.gz'} > \${name}.abund done cat <<-END_VERSIONS > versions.yml From e6875dea3a5d09d341ffe5869307c0ee8e523e0f Mon Sep 17 00:00:00 2001 From: d4straub Date: Mon, 14 Oct 2024 13:00:42 +0200 Subject: [PATCH 23/70] force install latest MaxBin2 module --- modules.json | 5 +- modules/nf-core/maxbin2/environment.yml | 5 + modules/nf-core/maxbin2/main.nf | 5 +- modules/nf-core/maxbin2/maxbin2.diff | 30 ---- modules/nf-core/maxbin2/meta.yml | 166 ++++++++++++------ modules/nf-core/maxbin2/tests/main.nf.test | 47 +++++ .../nf-core/maxbin2/tests/main.nf.test.snap | 59 +++++++ 7 files changed, 231 insertions(+), 86 deletions(-) create mode 100644 modules/nf-core/maxbin2/environment.yml delete mode 100644 modules/nf-core/maxbin2/maxbin2.diff create mode 100644 modules/nf-core/maxbin2/tests/main.nf.test create mode 100644 modules/nf-core/maxbin2/tests/main.nf.test.snap diff --git a/modules.json b/modules.json index 25ab1b6c..21267891 100644 --- a/modules.json +++ b/modules.json @@ -169,9 +169,8 @@ }, "maxbin2": { "branch": "master", - "git_sha": "911696ea0b62df80e900ef244d7867d177971f73", - "installed_by": ["modules"], - "patch": "modules/nf-core/maxbin2/maxbin2.diff" + "git_sha": "283613159e079152f1336cef0db1c836086206e0", + "installed_by": ["modules"] }, "metabat2/jgisummarizebamcontigdepths": { "branch": "master", diff --git a/modules/nf-core/maxbin2/environment.yml b/modules/nf-core/maxbin2/environment.yml new file mode 100644 index 00000000..8a881999 --- /dev/null +++ b/modules/nf-core/maxbin2/environment.yml @@ -0,0 +1,5 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::maxbin2=2.2.7 diff --git a/modules/nf-core/maxbin2/main.nf b/modules/nf-core/maxbin2/main.nf index 5c558856..845c8e4e 100644 --- a/modules/nf-core/maxbin2/main.nf +++ b/modules/nf-core/maxbin2/main.nf @@ -2,7 +2,7 @@ process MAXBIN2 { tag "$meta.id" label 'process_medium' - conda "bioconda::maxbin2=2.2.7" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/maxbin2:2.2.7--he1b5a44_2' : 'biocontainers/maxbin2:2.2.7--he1b5a44_2' }" @@ -13,12 +13,12 @@ process MAXBIN2 { output: tuple val(meta), path("*.fasta.gz") , emit: binned_fastas tuple val(meta), path("*.summary") , emit: summary + tuple val(meta), path("*.abundance") , emit: abundance , optional: true tuple val(meta), path("*.log.gz") , emit: log tuple val(meta), path("*.marker.gz") , emit: marker_counts tuple val(meta), path("*.noclass.gz") , emit: unbinned_fasta tuple val(meta), path("*.tooshort.gz"), emit: tooshort_fasta tuple val(meta), path("*_bin.tar.gz") , emit: marker_bins , optional: true - tuple val(meta), path("*.abundance") , emit: abundance , optional: true tuple val(meta), path("*_gene.tar.gz"), emit: marker_genes, optional: true path "versions.yml" , emit: versions @@ -28,6 +28,7 @@ process MAXBIN2 { script: def args = task.ext.args ?: '' def prefix = task.ext.prefix ?: "${meta.id}" + if (reads && abund) { error("ERROR: MaxBin2 can only accept one of `reads` or `abund`, no both. Check input.") } def associate_files = "" if ( reads ) { associate_files = "-reads $reads" diff --git a/modules/nf-core/maxbin2/maxbin2.diff b/modules/nf-core/maxbin2/maxbin2.diff deleted file mode 100644 index 5f7e04c6..00000000 --- a/modules/nf-core/maxbin2/maxbin2.diff +++ /dev/null @@ -1,30 +0,0 @@ -Changes in module 'nf-core/maxbin2' ---- modules/nf-core/maxbin2/main.nf -+++ modules/nf-core/maxbin2/main.nf -@@ -18,6 +18,7 @@ - tuple val(meta), path("*.noclass.gz") , emit: unbinned_fasta - tuple val(meta), path("*.tooshort.gz"), emit: tooshort_fasta - tuple val(meta), path("*_bin.tar.gz") , emit: marker_bins , optional: true -+ tuple val(meta), path("*.abundance") , emit: abundance , optional: true - tuple val(meta), path("*_gene.tar.gz"), emit: marker_genes, optional: true - path "versions.yml" , emit: versions - -@@ -27,7 +28,15 @@ - script: - def args = task.ext.args ?: '' - def prefix = task.ext.prefix ?: "${meta.id}" -- def associate_files = reads ? "-reads $reads" : "-abund $abund" -+ def associate_files = "" -+ if ( reads ) { -+ associate_files = "-reads $reads" -+ } else if ( abund instanceof List ) { -+ associate_files = "-abund ${abund[0]}" -+ for (i in 2..abund.size()) { associate_files += " -abund$i ${abund[i-1]}" } -+ } else { -+ associate_files = "-abund $abund" -+ } - """ - mkdir input/ && mv $contigs input/ - run_MaxBin.pl \\ - -************************************************************ diff --git a/modules/nf-core/maxbin2/meta.yml b/modules/nf-core/maxbin2/meta.yml index 7971d481..9546afb1 100644 --- a/modules/nf-core/maxbin2/meta.yml +++ b/modules/nf-core/maxbin2/meta.yml @@ -11,69 +11,133 @@ keywords: - contigs tools: - maxbin2: - description: MaxBin is software for binning assembled metagenomic sequences based on an Expectation-Maximization algorithm. + description: MaxBin is software for binning assembled metagenomic sequences based + on an Expectation-Maximization algorithm. homepage: https://sourceforge.net/projects/maxbin/ documentation: https://sourceforge.net/projects/maxbin/ tool_dev_url: https://sourceforge.net/projects/maxbin/ doi: "10.1093/bioinformatics/btv638" licence: ["BSD 3-clause"] - + identifier: "" input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - contigs: - type: file - description: Multi FASTA file containing assembled contigs of a given sample - pattern: "*.fasta" - - reads: - type: file - description: Reads used to assemble contigs in FASTA or FASTQ format. Do not supply at the same time as abundance files. - pattern: "*.fasta" - - abund: - type: file - description: Contig abundance files, i.e. reads against each contig. See MaxBin2 README for details. Do not supply at the same time as read files. - + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - contigs: + type: file + description: Multi FASTA file containing assembled contigs of a given sample + pattern: "*.fasta" + - reads: + type: file + description: Reads used to assemble contigs in FASTA or FASTQ format. Do not + supply at the same time as abundance files. + pattern: "*.fasta" + - abund: + type: list + description: One or more contig abundance files, i.e. average depth of reads against each contig. See MaxBin2 + README for details. Do not supply at the same time as read files. output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" - binned_fastas: - type: file - description: Binned contigs, one per bin designated with numeric IDs - pattern: "*.fasta.gz" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.fasta.gz": + type: file + description: Binned contigs, one per bin designated with numeric IDs + pattern: "*.fasta.gz" - summary: - type: file - description: Summary file describing which contigs are being classified into which bin - pattern: "*.summary" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.summary": + type: file + description: Summary file describing which contigs are being classified into + which bin + pattern: "*.summary" + - abundance: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.abundance": + type: file + description: Abundance of each bin if multiple abundance files were supplied + which bin + pattern: "*.abundance" - log: - type: file - description: Log file recording the core steps of MaxBin algorithm - pattern: "*.log.gz" - - marker: - type: file - description: Marker gene presence numbers for each bin - pattern: "*.marker.gz" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.log.gz": + type: file + description: Log file recording the core steps of MaxBin algorithm + pattern: "*.log.gz" + - marker_counts: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.marker.gz": + type: file + description: Marker counts + pattern: "*.marker.gz" - unbinned_fasta: - type: file - description: All sequences that pass the minimum length threshold but are not classified successfully. - pattern: "*.noclass.gz" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.noclass.gz": + type: file + description: All sequences that pass the minimum length threshold but are not + classified successfully. + pattern: "*.noclass.gz" - tooshort_fasta: - type: file - description: All sequences that do not meet the minimum length threshold. - pattern: "*.tooshort.gz" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*.tooshort.gz": + type: file + description: All sequences that do not meet the minimum length threshold. + pattern: "*.tooshort.gz" + - marker_bins: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*_bin.tar.gz": + type: file + description: Marker bins + pattern: "*_bin.tar.gz" - marker_genes: - type: file - description: All sequences that do not meet the minimum length threshold. - pattern: "*.marker_of_each_gene.tar.gz" - + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - "*_gene.tar.gz": + type: file + description: Marker genes + pattern: "*_gene.tar.gz" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@jfy133" +maintainers: + - "@jfy133" diff --git a/modules/nf-core/maxbin2/tests/main.nf.test b/modules/nf-core/maxbin2/tests/main.nf.test new file mode 100644 index 00000000..efb23c2b --- /dev/null +++ b/modules/nf-core/maxbin2/tests/main.nf.test @@ -0,0 +1,47 @@ + +nextflow_process { + + name "Test Process MAXBIN2" + script "../main.nf" + process "MAXBIN2" + + tag "modules" + tag "modules_nfcore" + tag "maxbin2" + + test("test-maxbin2") { + + when { + process { + """ + input[0] = [ + [ id:'test1', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/prokaryotes/bacteroides_fragilis/illumina/fasta/test1.contigs.fa.gz', checkIfExists: true), + file(params.modules_testdata_base_path + 'genomics/prokaryotes/bacteroides_fragilis/illumina/fastq/test1_1.fastq.gz', checkIfExists: true), + [] + ] + + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot( + process.out.binned_fastas, + process.out.summary, + file(process.out.log[0][1]).name, + process.out.marker_counts, + file(process.out.unbinned_fasta[0][1]).name, // empty + process.out.tooshort_fasta, + file(process.out.marker_bins[0][1]).name, // unstable + process.out.marker_genes, + process.out.versions + ).match() + } + ) + } + } + +} diff --git a/modules/nf-core/maxbin2/tests/main.nf.test.snap b/modules/nf-core/maxbin2/tests/main.nf.test.snap new file mode 100644 index 00000000..caecef8e --- /dev/null +++ b/modules/nf-core/maxbin2/tests/main.nf.test.snap @@ -0,0 +1,59 @@ +{ + "test-maxbin2": { + "content": [ + [ + [ + { + "id": "test1", + "single_end": false + }, + [ + "test1.001.fasta.gz:md5,92eeca569534d770af91a1c07e62afa9", + "test1.002.fasta.gz:md5,628ef3b2e6647aed95511c28ea0dc229" + ] + ] + ], + [ + [ + { + "id": "test1", + "single_end": false + }, + "test1.summary:md5,7cdbedbfadd7a96203bdeca55ad822da" + ] + ], + "test1.log.gz", + [ + [ + { + "id": "test1", + "single_end": false + }, + "test1.marker.gz:md5,928994e84b9d723a8a48841432e1a262" + ] + ], + "test1.noclass.gz", + [ + [ + { + "id": "test1", + "single_end": false + }, + "test1.tooshort.gz:md5,b4e48e83637217aa9eba7f27f5990b24" + ] + ], + "test1.marker_of_each_bin.tar.gz", + [ + + ], + [ + "versions.yml:md5,a8b5754ee5df020d62ff25306376fc0a" + ] + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "24.04.4" + }, + "timestamp": "2024-08-30T14:56:43.557114" + } +} \ No newline at end of file From f2859c77100cb1d6ec1fbdb6a8256b9a6983dd05 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 16 Oct 2024 15:33:08 +0200 Subject: [PATCH 24/70] Update CHANGELOG.md --- CHANGELOG.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 983de13a..3aa6b0eb 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -18,7 +18,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#674](https://github.com/nf-core/mag/pull/674) - Make longread preprocessing a subworkflow (added by @muabnezor) - [#674](https://github.com/nf-core/mag/pull/674) - Add porechop and filtlong logs to multiqc (added by @muabnezor) - [#674](https://github.com/nf-core/mag/pull/674) - Change local filtlong module to the official nf-core/filtlong module (added by @muabnezor) -- [#690](https://github.com/nf-core/mag/pull/690) - MaxBin2 is using the abundance information from different samples now as expected (reported by @uel3 and fixed by @d4straub) +- [#690](https://github.com/nf-core/mag/pull/690) - MaxBin2 now using the abundance information from different samples rather than an average (reported by @uel3 and fixed by @d4straub) ### `Dependencies` From 63fe6a2cc3d03a6fb350fe6d05b985a2c570b6db Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 16 Oct 2024 17:01:07 +0200 Subject: [PATCH 25/70] Remove unused parameters --- nextflow.config | 3 --- 1 file changed, 3 deletions(-) diff --git a/nextflow.config b/nextflow.config index 68fef682..11cc0e43 100644 --- a/nextflow.config +++ b/nextflow.config @@ -167,7 +167,6 @@ params { email = null email_on_fail = null plaintext_email = false - monochrome_logs = false hook_url = null help = false help_full = false @@ -175,8 +174,6 @@ params { version = false pipelines_testdata_base_path = 'https://raw.githubusercontent.com/nf-core/test-datasets/' - monochromeLogs = null // TODO remove once nf-validation removes the bug - // Config options config_profile_name = null config_profile_description = null From 2af46d8f29b8e3cea2324fe2336288af84c3fa15 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 16 Oct 2024 17:07:04 +0200 Subject: [PATCH 26/70] Comment out unusued tempalte parmaeter (renaming), and remove a duplicate entry in schema --- nextflow.config | 2 +- nextflow_schema.json | 8 -------- 2 files changed, 1 insertion(+), 9 deletions(-) diff --git a/nextflow.config b/nextflow.config index 11cc0e43..97554f03 100644 --- a/nextflow.config +++ b/nextflow.config @@ -150,7 +150,7 @@ params { save_mmseqs_db = false // References - genome = null + //genome = null // we use --host_genome instead igenomes_base = 's3://ngi-igenomes/igenomes/' igenomes_ignore = false diff --git a/nextflow_schema.json b/nextflow_schema.json index 3befcd0f..79312746 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -66,14 +66,6 @@ "fa_icon": "fas fa-dna", "description": "Reference genome related files and options required for the workflow.", "properties": { - "igenomes_base": { - "type": "string", - "format": "directory-path", - "description": "Directory / URL base for iGenomes references.", - "default": "s3://ngi-igenomes/igenomes/", - "fa_icon": "fas fa-cloud-download-alt", - "hidden": true - }, "igenomes_ignore": { "type": "boolean", "description": "Do not load the iGenomes reference config.", From 6102d0e7c7d799520f97a66610a1628874a5b852 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 16 Oct 2024 17:08:13 +0200 Subject: [PATCH 27/70] Fix yaml indentation --- .github/workflows/ci.yml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 54459a76..737ca238 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -143,8 +143,8 @@ jobs: sudo rm -rf "/usr/local/share/boost" sudo rm -rf "$AGENT_TOOLSDIRECTORY" - - name: Check out pipeline code - uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 + - name: Check out pipeline code + uses: actions/checkout@0ad4b8fadaa221de15dcec353f45205ec38ea70b # v4 - name: Install Nextflow run: | From d7d3af2264e4a0c9b5b1c2a50599dbe210b0cd01 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 16 Oct 2024 17:13:48 +0200 Subject: [PATCH 28/70] Remove nonexistant section --- nextflow_schema.json | 3 --- 1 file changed, 3 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 79312746..637db284 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -861,9 +861,6 @@ { "$ref": "#/$defs/institutional_config_options" }, - { - "$ref": "#/$defs/max_job_request_options" - }, { "$ref": "#/$defs/generic_options" }, From ca211b3196923ea019a2243babcd5bd7707b90a8 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Wed, 16 Oct 2024 17:17:53 +0200 Subject: [PATCH 29/70] Remove unused aprameter --- nextflow_schema.json | 14 ++++---------- 1 file changed, 4 insertions(+), 10 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 637db284..8c2c0b80 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -175,12 +175,6 @@ "fa_icon": "fas fa-file-upload", "hidden": true }, - "monochrome_logs": { - "type": "boolean", - "description": "Do not use coloured log outputs.", - "fa_icon": "fas fa-palette", - "hidden": true - }, "hook_url": { "type": "string", "description": "Incoming hook URL for messaging service", @@ -494,7 +488,7 @@ }, "gtdbtk_min_completeness": { "type": "number", - "default": 50, + "default": 50.0, "description": "Min. bin completeness (in %) required to apply GTDB-tk classification.", "help_text": "Completeness assessed with BUSCO analysis (100% - %Missing). Must be greater than 0 (min. 0.01) to avoid GTDB-tk errors. If too low, GTDB-tk classification results can be impaired due to not enough marker genes!", "minimum": 0.01, @@ -502,7 +496,7 @@ }, "gtdbtk_max_contamination": { "type": "number", - "default": 10, + "default": 10.0, "description": "Max. bin contamination (in %) allowed to apply GTDB-tk classification.", "help_text": "Contamination approximated based on BUSCO analysis (%Complete and duplicated). If too high, GTDB-tk classification results can be impaired due to contamination!", "minimum": 0, @@ -510,7 +504,7 @@ }, "gtdbtk_min_perc_aa": { "type": "number", - "default": 10, + "default": 10.0, "description": "Min. fraction of AA (in %) in the MSA for bins to be kept.", "minimum": 0, "maximum": 100 @@ -524,7 +518,7 @@ }, "gtdbtk_pplacer_cpus": { "type": "number", - "default": 1, + "default": 1.0, "description": "Number of CPUs used for the by GTDB-Tk run tool pplacer.", "help_text": "A low number of CPUs helps to reduce the memory required/reported by GTDB-Tk. See also the [GTDB-Tk documentation](https://ecogenomics.github.io/GTDBTk/faq.html#gtdb-tk-reaches-the-memory-limit-pplacer-crashes)." }, From 43b00a68402b4e613fb1fe47b5a402cd33331199 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 17 Oct 2024 15:46:20 +0200 Subject: [PATCH 30/70] Remove reference to max_* params and fix input schema --- assets/schema_input.json | 9 ++-- conf/test_adapterremoval.config | 18 ++++--- conf/test_ancient_dna.config | 19 ++++--- conf/test_bbnorm.config | 54 ++++++++++--------- conf/test_binrefinement.config | 18 ++++--- conf/test_busco_auto.config | 18 ++++--- conf/test_concoct.config | 52 +++++++++--------- conf/test_host_rm.config | 18 ++++--- conf/test_hybrid.config | 18 ++++--- conf/test_hybrid_host_rm.config | 18 ++++--- conf/test_nothing.config | 54 ++++++++++--------- conf/test_single_end.config | 50 +++++++++-------- conf/test_virus_identification.config | 50 +++++++++-------- .../local/utils_nfcore_mag_pipeline/main.nf | 7 --- 14 files changed, 224 insertions(+), 179 deletions(-) diff --git a/assets/schema_input.json b/assets/schema_input.json index 1dad1272..c4692eb9 100644 --- a/assets/schema_input.json +++ b/assets/schema_input.json @@ -21,7 +21,7 @@ "errorMessage": "Column 'run' contains an empty field. Either remove column 'run' or fill each field with a value." }, "group": { - "type": "string", + "type": ["string", "integer"], "pattern": "^\\S+$", "meta": ["group"], "errorMessage": "Column 'group' contains an empty field. Either remove column 'group' or fill each field with a value." @@ -38,7 +38,6 @@ "format": "file-path", "exists": true, "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "dependentRequired": ["short_reads_1"], "errorMessage": "FastQ file for reads 2 cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" }, "long_reads": { @@ -46,10 +45,14 @@ "format": "file-path", "exists": true, "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "dependentRequired": ["short_reads_1", "short_reads_2"], "errorMessage": "FastQ file for long reads cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" } }, "required": ["sample", "short_reads_1"] + }, + "uniqueEntries": ["sample", "run"], + "dependentRequired": { + "short_reads_2": ["short_reads_1"], + "long_reads": ["short_reads_1", "short_reads_2"] } } diff --git a/conf/test_adapterremoval.config b/conf/test_adapterremoval.config index 7ec304e8..df69a54e 100644 --- a/conf/test_adapterremoval.config +++ b/conf/test_adapterremoval.config @@ -10,14 +10,18 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test profile for running with AdapterRemoval and domain classification' - config_profile_description = 'Minimal test dataset to check pipeline function with AdapterRemoval data and domain classification.' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test profile for running with AdapterRemoval and domain classification' + config_profile_description = 'Minimal test dataset to check pipeline function with AdapterRemoval data and domain classification.' // Input data input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.euk.csv' diff --git a/conf/test_ancient_dna.config b/conf/test_ancient_dna.config index e9d48205..971ba399 100644 --- a/conf/test_ancient_dna.config +++ b/conf/test_ancient_dna.config @@ -10,14 +10,19 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Ancient DNA test profile ' - config_profile_description = 'Minimal test dataset to check pipeline function for ancient DNA step' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' + +params { + config_profile_name = 'Ancient DNA test profile ' + config_profile_description = 'Minimal test dataset to check pipeline function for ancient DNA step' // Input data input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' diff --git a/conf/test_bbnorm.config b/conf/test_bbnorm.config index 35442fea..1b7734bc 100644 --- a/conf/test_bbnorm.config +++ b/conf/test_bbnorm.config @@ -10,32 +10,36 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' // Input data - input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' - keep_phix = true - skip_clipping = true - skip_prokka = true - skip_prodigal = true - skip_quast = true - skip_binning = true - centrifuge_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_cf.tar.gz' - kraken2_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_kraken.tgz' - skip_krona = true - min_length_unbinned_contigs = 1 - max_unbinned_contigs = 2 - busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" - busco_clean = true - skip_gtdbtk = true - gtdbtk_min_completeness = 0 - bbnorm = true - coassemble_group = true + input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' + keep_phix = true + skip_clipping = true + skip_prokka = true + skip_prodigal = true + skip_quast = true + skip_binning = true + centrifuge_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_cf.tar.gz' + kraken2_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_kraken.tgz' + skip_krona = true + min_length_unbinned_contigs = 1 + max_unbinned_contigs = 2 + busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" + busco_clean = true + skip_gtdbtk = true + gtdbtk_min_completeness = 0 + bbnorm = true + coassemble_group = true } diff --git a/conf/test_binrefinement.config b/conf/test_binrefinement.config index 180775e2..4bed0d5f 100644 --- a/conf/test_binrefinement.config +++ b/conf/test_binrefinement.config @@ -10,14 +10,18 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' // Input data input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' diff --git a/conf/test_busco_auto.config b/conf/test_busco_auto.config index 8302f753..511be6d2 100644 --- a/conf/test_busco_auto.config +++ b/conf/test_busco_auto.config @@ -10,14 +10,18 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' // Input data input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' diff --git a/conf/test_concoct.config b/conf/test_concoct.config index b427fd2c..f3581a16 100644 --- a/conf/test_concoct.config +++ b/conf/test_concoct.config @@ -11,33 +11,37 @@ ---------------------------------------------------------------------------------------- */ +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} + params { config_profile_name = 'Test CONCOCT profile' config_profile_description = 'Minimal test dataset to check pipeline function' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data - input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' - centrifuge_db = null - kraken2_db = null - skip_krona = true - skip_clipping = true - skip_adapter_trimming = false - skip_spades = true - skip_spadeshybrid = true - skip_megahit = false - skip_quast = true - skip_prodigal = true - skip_binning = false - skip_metabat2 = false - skip_maxbin2 = true - skip_concoct = false - skip_prokka = true - skip_binqc = true - skip_gtdbtk = true - gtdbtk_min_completeness = 0 + input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' + centrifuge_db = null + kraken2_db = null + skip_krona = true + skip_clipping = true + skip_adapter_trimming = false + skip_spades = true + skip_spadeshybrid = true + skip_megahit = false + skip_quast = true + skip_prodigal = true + skip_binning = false + skip_metabat2 = false + skip_maxbin2 = true + skip_concoct = false + skip_prokka = true + skip_binqc = true + skip_gtdbtk = true + gtdbtk_min_completeness = 0 } diff --git a/conf/test_host_rm.config b/conf/test_host_rm.config index 68c03fb1..d048f9b3 100644 --- a/conf/test_host_rm.config +++ b/conf/test_host_rm.config @@ -10,14 +10,18 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' // Input data host_fasta = params.pipelines_testdata_base_path + 'mag/host_reference/genome.hg38.chr21_10000bp_region.fa' diff --git a/conf/test_hybrid.config b/conf/test_hybrid.config index ca6f4c74..6995a594 100644 --- a/conf/test_hybrid.config +++ b/conf/test_hybrid.config @@ -10,14 +10,18 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' // Input data input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.hybrid.csv' diff --git a/conf/test_hybrid_host_rm.config b/conf/test_hybrid_host_rm.config index 3d920995..2bb1a6a4 100644 --- a/conf/test_hybrid_host_rm.config +++ b/conf/test_hybrid_host_rm.config @@ -10,14 +10,18 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' // Input data host_fasta = params.pipelines_testdata_base_path + 'mag/host_reference/genome.hg38.chr21_10000bp_region.fa' diff --git a/conf/test_nothing.config b/conf/test_nothing.config index e5905a9a..46b12267 100644 --- a/conf/test_nothing.config +++ b/conf/test_nothing.config @@ -11,34 +11,38 @@ ---------------------------------------------------------------------------------------- */ +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} + params { config_profile_name = 'Test nothing profile' config_profile_description = 'Minimal test dataset to check pipeline function' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data - input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' - centrifuge_db = null - kraken2_db = null - skip_krona = true - skip_clipping = true - skip_adapter_trimming = true - skip_spades = true - skip_spadeshybrid = true - skip_megahit = true - skip_quast = true - skip_prodigal = true - skip_binning = true - skip_metabat2 = true - skip_maxbin2 = true - skip_concoct = true - skip_prokka = true - skip_binqc = true - skip_gtdbtk = true - gtdbtk_min_completeness = 0 - skip_concoct = true + input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' + centrifuge_db = null + kraken2_db = null + skip_krona = true + skip_clipping = true + skip_adapter_trimming = true + skip_spades = true + skip_spadeshybrid = true + skip_megahit = true + skip_quast = true + skip_prodigal = true + skip_binning = true + skip_metabat2 = true + skip_maxbin2 = true + skip_concoct = true + skip_prokka = true + skip_binqc = true + skip_gtdbtk = true + gtdbtk_min_completeness = 0 + skip_concoct = true } diff --git a/conf/test_single_end.config b/conf/test_single_end.config index fb60a3d0..951a4361 100644 --- a/conf/test_single_end.config +++ b/conf/test_single_end.config @@ -10,29 +10,33 @@ ---------------------------------------------------------------------------------------- */ -params { - config_profile_name = 'Test single-end profile' - config_profile_description = 'Minimal test dataset to check pipeline function' +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' +params { + config_profile_name = 'Test single-end profile' + config_profile_description = 'Minimal test dataset to check pipeline function' - input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.single_end.csv' - single_end = true - centrifuge_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_cf.tar.gz' - kraken2_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_kraken.tgz' - skip_krona = true - megahit_fix_cpu_1 = true - spades_fix_cpus = 1 - binning_map_mode = 'own' - min_length_unbinned_contigs = 1000000 - max_unbinned_contigs = 2 - skip_gtdbtk = true - skip_concoct = true - skip_binqc = true - skip_gtdbtk = true - skip_prokka = true - skip_metaeuk = true + input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.single_end.csv' + single_end = true + centrifuge_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_cf.tar.gz' + kraken2_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_kraken.tgz' + skip_krona = true + megahit_fix_cpu_1 = true + spades_fix_cpus = 1 + binning_map_mode = 'own' + min_length_unbinned_contigs = 1000000 + max_unbinned_contigs = 2 + skip_gtdbtk = true + skip_concoct = true + skip_binqc = true + skip_gtdbtk = true + skip_prokka = true + skip_metaeuk = true } diff --git a/conf/test_virus_identification.config b/conf/test_virus_identification.config index 24893899..b5137464 100644 --- a/conf/test_virus_identification.config +++ b/conf/test_virus_identification.config @@ -10,34 +10,38 @@ ---------------------------------------------------------------------------------------- */ +// Limit resources so that this can run on GitHub Actions +process { + resourceLimits = [ + cpus: 4, + memory: '15.GB', + time: '1.h' + ] +} + params { config_profile_name = 'Test profile for running virus_identification' config_profile_description = 'Minimal test dataset to check pipeline function virus identification' - // Limit resources so that this can run on GitHub Actions - max_cpus = 2 - max_memory = '6.GB' - max_time = '6.h' - // Input data - input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' - run_virus_identification = true - genomad_splits = 7 + input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.csv' + run_virus_identification = true + genomad_splits = 7 // For computational efficiency - reads_minlength = 150 - coassemble_group = true - skip_gtdbtk = true - gtdbtk_min_completeness = 0 - skip_binning = true - skip_prokka = true - skip_spades = true - skip_spadeshybrid = true - skip_quast = true - skip_prodigal = true - skip_krona = true - skip_adapter_trimming = true - skip_metabat2 = true - skip_maxbin2 = true - skip_busco = true + reads_minlength = 150 + coassemble_group = true + skip_gtdbtk = true + gtdbtk_min_completeness = 0 + skip_binning = true + skip_prokka = true + skip_spades = true + skip_spadeshybrid = true + skip_quast = true + skip_prodigal = true + skip_krona = true + skip_adapter_trimming = true + skip_metabat2 = true + skip_maxbin2 = true + skip_busco = true } diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index b4975c85..35232773 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -219,13 +219,6 @@ def validateInputParameters(hybrid) { error("[nf-core/mag] ERROR: Invalid combination of parameter '--binning_map_mode own' and parameter '--coassemble_group'. Select either 'all' or 'group' mapping mode when performing group-wise co-assembly.") } - // Check if specified cpus for SPAdes are available - if (params.spades_fix_cpus > params.max_cpus) { - error("[nf-core/mag] ERROR: Invalid parameter '--spades_fix_cpus ${params.spades_fix_cpus}', max cpus are '${params.max_cpus}'.") - } - if (params.spadeshybrid_fix_cpus > params.max_cpus) { - error("[nf-core/mag] ERROR: Invalid parameter '--spadeshybrid_fix_cpus ${params.spadeshybrid_fix_cpus}', max cpus are '${params.max_cpus}'.") - } // Check if settings concerning reproducibility of used tools are consistent and print warning if not if (params.megahit_fix_cpu_1 || params.spades_fix_cpus != -1 || params.spadeshybrid_fix_cpus != -1) { if (!params.skip_spades && params.spades_fix_cpus == -1) { From 410c869278bdf725cd6d78cd4c399ef1c78310c8 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 17 Oct 2024 15:56:20 +0200 Subject: [PATCH 31/70] Remoce references to `check_max()` --- conf/base.config | 100 +++++++++++++++++++++++------------------------ 1 file changed, 50 insertions(+), 50 deletions(-) diff --git a/conf/base.config b/conf/base.config index af4940a9..c79919ca 100644 --- a/conf/base.config +++ b/conf/base.config @@ -60,106 +60,106 @@ process { } withName: BOWTIE2_HOST_REMOVAL_BUILD { - cpus = { check_max(10 * task.attempt, 'cpus') } - memory = { check_max(20.GB * task.attempt, 'memory') } - time = { check_max(4.h * task.attempt, 'time') } + cpus = { 10 * task.attempt } + memory = { 20.GB * task.attempt } + time = { 4.h * task.attempt } } withName: BOWTIE2_HOST_REMOVAL_ALIGN { - cpus = { check_max(10 * task.attempt, 'cpus') } - memory = { check_max(10.GB * task.attempt, 'memory') } - time = { check_max(6.h * task.attempt, 'time') } + cpus = { 10 * task.attempt } + memory = { 10.GB * task.attempt } + time = { 6.h * task.attempt } } withName: BOWTIE2_PHIX_REMOVAL_ALIGN { - cpus = { check_max(4 * task.attempt, 'cpus') } - memory = { check_max(8.GB * task.attempt, 'memory') } - time = { check_max(6.h * task.attempt, 'time') } + cpus = { 4 * task.attempt } + memory = { 8.GB * task.attempt } + time = { 6.h * task.attempt } } withName: PORECHOP_PORECHOP { - cpus = { check_max(4 * task.attempt, 'cpus') } - memory = { check_max(30.GB * task.attempt, 'memory') } - time = { check_max(4.h * task.attempt, 'time') } + cpus = { 4 * task.attempt } + memory = { 30.GB * task.attempt } + time = { 4.h * task.attempt } } withName: NANOLYSE { - cpus = { check_max(2 * task.attempt, 'cpus') } - memory = { check_max(10.GB * task.attempt, 'memory') } - time = { check_max(3.h * task.attempt, 'time') } + cpus = { 2 * task.attempt } + memory = { 10.GB * task.attempt } + time = { 3.h * task.attempt } } //filtlong: exponential increase of memory and time with attempts withName: FILTLONG { - cpus = { check_max(8 * task.attempt, 'cpus') } - memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } - time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } + cpus = { 8 * task.attempt } + memory = { 64.GB * (2 ** (task.attempt - 1)) } + time = { 24.h * (2 ** (task.attempt - 1)) } } withName: CENTRIFUGE_CENTRIFUGE { - cpus = { check_max(8 * task.attempt, 'cpus') } - memory = { check_max(40.GB * task.attempt, 'memory') } - time = { check_max(12.h * task.attempt, 'time') } + cpus = { 8 * task.attempt } + memory = { 40.GB * task.attempt } + time = { 12.h * task.attempt } } withName: KRAKEN2 { - cpus = { check_max(8 * task.attempt, 'cpus') } - memory = { check_max(40.GB * task.attempt, 'memory') } - time = { check_max(12.h * task.attempt, 'time') } + cpus = { 8 * task.attempt } + memory = { 40.GB * task.attempt } + time = { 12.h * task.attempt } } withName: KRONA_KTIMPORTTAXONOMY { - cpus = { check_max(8 * task.attempt, 'cpus') } - memory = { check_max(20.GB * task.attempt, 'memory') } - time = { check_max(12.h * task.attempt, 'time') } + cpus = { 8 * task.attempt } + memory = { 20.GB * task.attempt } + time = { 12.h * task.attempt } } withName: CAT_DB_GENERATE { - memory = { check_max(200.GB * task.attempt, 'memory') } - time = { check_max(16.h * task.attempt, 'time') } + memory = { 200.GB * task.attempt } + time = { 16.h * task.attempt } } withName: CAT { - cpus = { check_max(8 * task.attempt, 'cpus') } - memory = { check_max(40.GB * task.attempt, 'memory') } - time = { check_max(12.h * task.attempt, 'time') } + cpus = { 8 * task.attempt } + memory = { 40.GB * task.attempt } + time = { 12.h * task.attempt } } withName: GTDBTK_CLASSIFYWF { - cpus = { check_max(10 * task.attempt, 'cpus') } - memory = { check_max(128.GB * task.attempt, 'memory') } - time = { check_max(12.h * task.attempt, 'time') } + cpus = { 10 * task.attempt } + memory = { 128.GB * task.attempt } + time = { 12.h * task.attempt } } //MEGAHIT returns exit code 250 when running out of memory withName: MEGAHIT { cpus = { check_megahit_cpus(8, task.attempt) } - memory = { check_max(40.GB * task.attempt, 'memory') } - time = { check_max(16.h * task.attempt, 'time') } + memory = { 40.GB * task.attempt } + time = { 16.h * task.attempt } errorStrategy = { task.exitStatus in ((130..145) + 104 + 250) ? 'retry' : 'finish' } } //SPAdes returns error(1) if it runs out of memory (and for other reasons as well...)! //exponential increase of memory and time with attempts, keep number of threads to enable reproducibility withName: SPADES { cpus = { check_spades_cpus(10, task.attempt) } - memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } - time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } + memory = { 64.GB * (2 ** (task.attempt - 1)) } + time = { 24.h * (2 ** (task.attempt - 1)) } errorStrategy = { task.exitStatus in ((130..145) + 104 + 21 + 12 + 1) ? 'retry' : 'finish' } maxRetries = 5 } withName: SPADESHYBRID { cpus = { check_spadeshybrid_cpus(10, task.attempt) } - memory = { check_max(64.GB * (2 ** (task.attempt - 1)), 'memory') } - time = { check_max(24.h * (2 ** (task.attempt - 1)), 'time') } + memory = { 64.GB * (2 ** (task.attempt - 1)) } + time = { 24.h * (2 ** (task.attempt - 1)) } errorStrategy = { task.exitStatus in ((130..145) + 104 + 21 + 12 + 1) ? 'retry' : 'finish' } maxRetries = 5 } //returns exit code 247 when running out of memory withName: BOWTIE2_ASSEMBLY_ALIGN { - cpus = { check_max(2 * task.attempt, 'cpus') } - memory = { check_max(8.GB * task.attempt, 'memory') } - time = { check_max(8.h * task.attempt, 'time') } + cpus = { 2 * task.attempt } + memory = { 8.GB * task.attempt } + time = { 8.h * task.attempt } errorStrategy = { task.exitStatus in ((130..145) + 104 + 247) ? 'retry' : 'finish' } } withName: METABAT2_METABAT2 { - cpus = { check_max(8 * task.attempt, 'cpus') } - memory = { check_max(20.GB * task.attempt, 'memory') } - time = { check_max(8.h * task.attempt, 'time') } + cpus = { 8 * task.attempt } + memory = { 20.GB * task.attempt } + time = { 8.h * task.attempt } } withName: MAG_DEPTHS { - memory = { check_max(16.GB * task.attempt, 'memory') } + memory = { 16.GB * task.attempt } } withName: BUSCO { - cpus = { check_max(8 * task.attempt, 'cpus') } - memory = { check_max(20.GB * task.attempt, 'memory') } + cpus = { 8 * task.attempt } + memory = { 20.GB * task.attempt } } withName: MAXBIN2 { From 2bbed0aa0fa5213e3637e2501e6742fb31600644 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Thu, 17 Oct 2024 16:03:29 +0200 Subject: [PATCH 32/70] REplace custom check__cpus functions --- conf/base.config | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/conf/base.config b/conf/base.config index c79919ca..6ed5a366 100644 --- a/conf/base.config +++ b/conf/base.config @@ -121,7 +121,7 @@ process { } //MEGAHIT returns exit code 250 when running out of memory withName: MEGAHIT { - cpus = { check_megahit_cpus(8, task.attempt) } + cpus = { params.megahit_fix_cpu_1 ? 1 : (8 * task.attempt) } memory = { 40.GB * task.attempt } time = { 16.h * task.attempt } errorStrategy = { task.exitStatus in ((130..145) + 104 + 250) ? 'retry' : 'finish' } @@ -129,14 +129,14 @@ process { //SPAdes returns error(1) if it runs out of memory (and for other reasons as well...)! //exponential increase of memory and time with attempts, keep number of threads to enable reproducibility withName: SPADES { - cpus = { check_spades_cpus(10, task.attempt) } + cpus = { params.spades_fix_cpus != -1 ? params.spades_fix_cpus : (10 * task.attempt) } memory = { 64.GB * (2 ** (task.attempt - 1)) } time = { 24.h * (2 ** (task.attempt - 1)) } errorStrategy = { task.exitStatus in ((130..145) + 104 + 21 + 12 + 1) ? 'retry' : 'finish' } maxRetries = 5 } withName: SPADESHYBRID { - cpus = { check_spadeshybrid_cpus(10, task.attempt) } + cpus = { params.spadeshybrid_fix_cpus != -1 ? params.spadeshybrid_fix_cpus : (10 * task.attempt) } memory = { 64.GB * (2 ** (task.attempt - 1)) } time = { 24.h * (2 ** (task.attempt - 1)) } errorStrategy = { task.exitStatus in ((130..145) + 104 + 21 + 12 + 1) ? 'retry' : 'finish' } From 2c40897dcfa52396b39983b26429897e41c7cd89 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 09:25:10 +0200 Subject: [PATCH 33/70] update prodigal to helpfully not compress symlinks by having more specific pigz suffxies --- modules.json | 2 +- modules/nf-core/prodigal/environment.yml | 6 + modules/nf-core/prodigal/main.nf | 24 ++- modules/nf-core/prodigal/meta.yml | 98 +++++---- modules/nf-core/prodigal/tests/main.nf.test | 101 +++++++++ .../nf-core/prodigal/tests/main.nf.test.snap | 196 ++++++++++++++++++ modules/nf-core/prodigal/tests/tags.yml | 2 + 7 files changed, 388 insertions(+), 41 deletions(-) create mode 100644 modules/nf-core/prodigal/environment.yml create mode 100644 modules/nf-core/prodigal/tests/main.nf.test create mode 100644 modules/nf-core/prodigal/tests/main.nf.test.snap create mode 100644 modules/nf-core/prodigal/tests/tags.yml diff --git a/modules.json b/modules.json index a72556a7..31443fd4 100644 --- a/modules.json +++ b/modules.json @@ -219,7 +219,7 @@ }, "prodigal": { "branch": "master", - "git_sha": "603ecbd9f45300c9788f197d2a15a005685b4220", + "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", "installed_by": ["modules"] }, "prokka": { diff --git a/modules/nf-core/prodigal/environment.yml b/modules/nf-core/prodigal/environment.yml new file mode 100644 index 00000000..7609bf3b --- /dev/null +++ b/modules/nf-core/prodigal/environment.yml @@ -0,0 +1,6 @@ +channels: + - conda-forge + - bioconda +dependencies: + - bioconda::prodigal=2.6.3 + - conda-forge::pigz=2.6 diff --git a/modules/nf-core/prodigal/main.nf b/modules/nf-core/prodigal/main.nf index 8cf87a6d..49ced167 100644 --- a/modules/nf-core/prodigal/main.nf +++ b/modules/nf-core/prodigal/main.nf @@ -2,7 +2,7 @@ process PRODIGAL { tag "$meta.id" label 'process_single' - conda "bioconda::prodigal=2.6.3 conda-forge::pigz=2.6" + conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? 'https://depot.galaxyproject.org/singularity/mulled-v2-2e442ba7b07bfa102b9cf8fac6221263cd746ab8:57f05cfa73f769d6ed6d54144cb3aa2a6a6b17e0-0' : 'biocontainers/mulled-v2-2e442ba7b07bfa102b9cf8fac6221263cd746ab8:57f05cfa73f769d6ed6d54144cb3aa2a6a6b17e0-0' }" @@ -33,7 +33,10 @@ process PRODIGAL { -a "${prefix}.faa" \\ -s "${prefix}_all.txt" - pigz -nm ${prefix}* + pigz -nm ${prefix}.fna + pigz -nm ${prefix}.${output_format} + pigz -nm ${prefix}.faa + pigz -nm ${prefix}_all.txt cat <<-END_VERSIONS > versions.yml "${task.process}": @@ -41,4 +44,21 @@ process PRODIGAL { pigz: \$(pigz -V 2>&1 | sed 's/pigz //g') END_VERSIONS """ + + stub: + def args = task.ext.args ?: '' + prefix = task.ext.prefix ?: "${meta.id}" + """ + touch ${prefix}.fna.gz + touch ${prefix}.${output_format}.gz + touch ${prefix}.faa.gz + touch ${prefix}_all.txt.gz + + cat <<-END_VERSIONS > versions.yml + "${task.process}": + prodigal: \$(prodigal -v 2>&1 | sed -n 's/Prodigal V\\(.*\\):.*/\\1/p') + pigz: \$(pigz -V 2>&1 | sed 's/pigz //g') + END_VERSIONS + """ + } diff --git a/modules/nf-core/prodigal/meta.yml b/modules/nf-core/prodigal/meta.yml index 30747a90..7d3d459e 100644 --- a/modules/nf-core/prodigal/meta.yml +++ b/modules/nf-core/prodigal/meta.yml @@ -1,57 +1,79 @@ name: prodigal -description: Prodigal (Prokaryotic Dynamic Programming Genefinding Algorithm) is a microbial (bacterial and archaeal) gene finding program +description: Prodigal (Prokaryotic Dynamic Programming Genefinding Algorithm) is a + microbial (bacterial and archaeal) gene finding program keywords: - prokaryotes - gene finding - microbial tools: - prodigal: - description: Prodigal (Prokaryotic Dynamic Programming Genefinding Algorithm) is a microbial (bacterial and archaeal) gene finding program + description: Prodigal (Prokaryotic Dynamic Programming Genefinding Algorithm) + is a microbial (bacterial and archaeal) gene finding program homepage: https://github.com/hyattpd/Prodigal documentation: https://github.com/hyattpd/prodigal/wiki tool_dev_url: https://github.com/hyattpd/Prodigal doi: "10.1186/1471-2105-11-119" licence: ["GPL v3"] - + identifier: biotools:prodigal input: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - genome: - type: file - description: fasta/fasta.gz file - - output_format: - type: string - description: Output format ("gbk"/"gff"/"sqn"/"sco") - + - - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - genome: + type: file + description: fasta/fasta.gz file + - - output_format: + type: string + description: Output format ("gbk"/"gff"/"sqn"/"sco") output: - - meta: - type: map - description: | - Groovy Map containing sample information - e.g. [ id:'test', single_end:false ] - - versions: - type: file - description: File containing software versions - pattern: "versions.yml" + - gene_annotations: + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - ${prefix}.${output_format}.gz: + type: file + description: gene annotations in output_format given as input + pattern: "*.{output_format}" - nucleotide_fasta: - type: file - description: nucleotide sequences file - pattern: "*.{fna}" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - ${prefix}.fna.gz: + type: file + description: nucleotide sequences file + pattern: "*.{fna}" - amino_acid_fasta: - type: file - description: protein translations file - pattern: "*.{faa}" + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - ${prefix}.faa.gz: + type: file + description: protein translations file + pattern: "*.{faa}" - all_gene_annotations: - type: file - description: complete starts file - pattern: "*.{_all.txt}" - - gene_annotations: - type: file - description: gene annotations in output_format given as input - pattern: "*.{output_format}" - + - meta: + type: map + description: | + Groovy Map containing sample information + e.g. [ id:'test', single_end:false ] + - ${prefix}_all.txt.gz: + type: file + description: complete starts file + pattern: "*.{_all.txt}" + - versions: + - versions.yml: + type: file + description: File containing software versions + pattern: "versions.yml" authors: - "@grst" +maintainers: + - "@grst" diff --git a/modules/nf-core/prodigal/tests/main.nf.test b/modules/nf-core/prodigal/tests/main.nf.test new file mode 100644 index 00000000..446bd0d1 --- /dev/null +++ b/modules/nf-core/prodigal/tests/main.nf.test @@ -0,0 +1,101 @@ +nextflow_process { + + name "Test Process PRODIGAL" + script "../main.nf" + process "PRODIGAL" + + tag "modules" + tag "modules_nfcore" + tag "prodigal" + + test("prodigal - sarscov2 - gff") { + when { + process { + """ + input[0] = [ + [id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/genome/genome.fasta', checkIfExists: true) + ] + input[1] = 'gff' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("prodigal - sarscov2 - gbk") { + when { + process { + """ + input[0] = [ + [id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/genome/genome.fasta', checkIfExists: true) + ] + input[1] = 'gbk' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out).match() } + ) + } + } + + test("prodigal - sarscov2 - gff - stub") { + + options "-stub" + + when { + process { + """ + input[0] = [ + [id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/genome/genome.fasta', checkIfExists: true) + ] + input[1] = 'gff' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.out).match() } + ) + } + } + + test("prodigal - sarscov2 - gbk - stub") { + + options "-stub" + + when { + process { + """ + input[0] = [ + [id:'test', single_end:false ], // meta map + file(params.modules_testdata_base_path + 'genomics/sarscov2/genome/genome.fasta', checkIfExists: true) + ] + input[1] = 'gbk' + """ + } + } + + then { + assertAll( + { assert process.success }, + { assert snapshot(process.out.out).match() } + ) + } + } + +} \ No newline at end of file diff --git a/modules/nf-core/prodigal/tests/main.nf.test.snap b/modules/nf-core/prodigal/tests/main.nf.test.snap new file mode 100644 index 00000000..f29802b4 --- /dev/null +++ b/modules/nf-core/prodigal/tests/main.nf.test.snap @@ -0,0 +1,196 @@ +{ + "prodigal - sarscov2 - gbk - stub": { + "content": null, + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-03-18T13:58:09.852618454" + }, + "prodigal - sarscov2 - gff": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.gff.gz:md5,612c2724c2891c63350f171f74165757" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.fna.gz:md5,1bc8a05bcb72a3c324f5e4ffaa716d3b" + ] + ], + "2": [ + [ + { + "id": "test", + "single_end": false + }, + "test.faa.gz:md5,7168b854103f3586ccfdb71a44c389f7" + ] + ], + "3": [ + [ + { + "id": "test", + "single_end": false + }, + "test_all.txt.gz:md5,e6d6c50f0c39e5169f84ae3c90837fa9" + ] + ], + "4": [ + "versions.yml:md5,9541e53a6927e9856036bb97bfb30307" + ], + "all_gene_annotations": [ + [ + { + "id": "test", + "single_end": false + }, + "test_all.txt.gz:md5,e6d6c50f0c39e5169f84ae3c90837fa9" + ] + ], + "amino_acid_fasta": [ + [ + { + "id": "test", + "single_end": false + }, + "test.faa.gz:md5,7168b854103f3586ccfdb71a44c389f7" + ] + ], + "gene_annotations": [ + [ + { + "id": "test", + "single_end": false + }, + "test.gff.gz:md5,612c2724c2891c63350f171f74165757" + ] + ], + "nucleotide_fasta": [ + [ + { + "id": "test", + "single_end": false + }, + "test.fna.gz:md5,1bc8a05bcb72a3c324f5e4ffaa716d3b" + ] + ], + "versions": [ + "versions.yml:md5,9541e53a6927e9856036bb97bfb30307" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-03-18T13:57:49.57989696" + }, + "prodigal - sarscov2 - gff - stub": { + "content": null, + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-03-18T13:58:03.210222528" + }, + "prodigal - sarscov2 - gbk": { + "content": [ + { + "0": [ + [ + { + "id": "test", + "single_end": false + }, + "test.gbk.gz:md5,188b3a0e3f78740ded7f3ec4d876cb4b" + ] + ], + "1": [ + [ + { + "id": "test", + "single_end": false + }, + "test.fna.gz:md5,1bc8a05bcb72a3c324f5e4ffaa716d3b" + ] + ], + "2": [ + [ + { + "id": "test", + "single_end": false + }, + "test.faa.gz:md5,7168b854103f3586ccfdb71a44c389f7" + ] + ], + "3": [ + [ + { + "id": "test", + "single_end": false + }, + "test_all.txt.gz:md5,e6d6c50f0c39e5169f84ae3c90837fa9" + ] + ], + "4": [ + "versions.yml:md5,9541e53a6927e9856036bb97bfb30307" + ], + "all_gene_annotations": [ + [ + { + "id": "test", + "single_end": false + }, + "test_all.txt.gz:md5,e6d6c50f0c39e5169f84ae3c90837fa9" + ] + ], + "amino_acid_fasta": [ + [ + { + "id": "test", + "single_end": false + }, + "test.faa.gz:md5,7168b854103f3586ccfdb71a44c389f7" + ] + ], + "gene_annotations": [ + [ + { + "id": "test", + "single_end": false + }, + "test.gbk.gz:md5,188b3a0e3f78740ded7f3ec4d876cb4b" + ] + ], + "nucleotide_fasta": [ + [ + { + "id": "test", + "single_end": false + }, + "test.fna.gz:md5,1bc8a05bcb72a3c324f5e4ffaa716d3b" + ] + ], + "versions": [ + "versions.yml:md5,9541e53a6927e9856036bb97bfb30307" + ] + } + ], + "meta": { + "nf-test": "0.8.4", + "nextflow": "23.10.1" + }, + "timestamp": "2024-03-18T13:57:56.606374214" + } +} \ No newline at end of file diff --git a/modules/nf-core/prodigal/tests/tags.yml b/modules/nf-core/prodigal/tests/tags.yml new file mode 100644 index 00000000..fc0cb020 --- /dev/null +++ b/modules/nf-core/prodigal/tests/tags.yml @@ -0,0 +1,2 @@ +prodigal: + - "modules/nf-core/prodigal/**" From 4f94dae59cd6e35457a420ce0e659b2d8538833d Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 09:26:56 +0200 Subject: [PATCH 34/70] Update CHANGELOG --- CHANGELOG.md | 1 + 1 file changed, 1 insertion(+) diff --git a/CHANGELOG.md b/CHANGELOG.md index 61b8c9a2..6e7c4e7b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -18,6 +18,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#674](https://github.com/nf-core/mag/pull/674) - Make longread preprocessing a subworkflow (added by @muabnezor) - [#674](https://github.com/nf-core/mag/pull/674) - Add porechop and filtlong logs to multiqc (added by @muabnezor) - [#674](https://github.com/nf-core/mag/pull/674) - Change local filtlong module to the official nf-core/filtlong module (added by @muabnezor) +- [#698](https://github.com/nf-core/mag/pull/698) - Updated prodigal module to not pick up input symlinks for compression causing pigz errors (reported by @zackhenny, fix by @jfy133 ) ### `Dependencies` From 91fad570899132d085bbccee986585e2df1bf7e4 Mon Sep 17 00:00:00 2001 From: nf-core-bot Date: Mon, 21 Oct 2024 07:33:51 +0000 Subject: [PATCH 35/70] [automated] Fix code linting --- CHANGELOG.md | 1 - 1 file changed, 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 0f342ae3..41b938d4 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -21,7 +21,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#690](https://github.com/nf-core/mag/pull/690) - MaxBin2 now using the abundance information from different samples rather than an average (reported by @uel3 and fixed by @d4straub) - [#698](https://github.com/nf-core/mag/pull/698) - Updated prodigal module to not pick up input symlinks for compression causing pigz errors (reported by @zackhenny, fix by @jfy133 ) - ### `Dependencies` | Tool | Previous version | New version | From 1f5b16cc23458e785ca0c90fad3f421002e8f7c9 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 11:12:35 +0200 Subject: [PATCH 36/70] Update schema, fix empty list in tag names, fix missing parameter default --- nextflow.config | 3 ++- nextflow_schema.json | 5 +++++ .../local/utils_nfcore_mag_pipeline/main.nf | 14 +++++++------- 3 files changed, 14 insertions(+), 8 deletions(-) diff --git a/nextflow.config b/nextflow.config index 97554f03..1c401c77 100644 --- a/nextflow.config +++ b/nextflow.config @@ -167,6 +167,7 @@ params { email = null email_on_fail = null plaintext_email = false + monochrome_logs = false hook_url = null help = false help_full = false @@ -380,7 +381,7 @@ manifest { // Nextflow plugins plugins { - id 'nf-schema@2.1.1' // Validation of pipeline parameters and creation of an input channel from a sample sheet + id 'nf-schema@2.1.2' // Validation of pipeline parameters and creation of an input channel from a sample sheet } validation { diff --git a/nextflow_schema.json b/nextflow_schema.json index 8c2c0b80..7ee90eb9 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -153,6 +153,11 @@ "enum": ["symlink", "rellink", "link", "copy", "copyNoFollow", "move"], "hidden": true }, + "monochrome_logs": { + "type": "boolean", + "description": "Use monochrome_logs", + "hidden": true + }, "email_on_fail": { "type": "string", "description": "Email address for completion summary, only when pipeline fails.", diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index 35232773..d2267c49 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -78,7 +78,7 @@ workflow PIPELINE_INITIALISATION { // Prepare FASTQs channel and separate short and long reads and prepare ch_raw_short_reads = ch_samplesheet.map { meta, sr1, sr2, lr -> - meta.run = meta.run == null ? "0" : meta.run + meta.run = meta.run == [] ? "0" : meta.run meta.single_end = params.single_end if (params.single_end) { @@ -91,7 +91,7 @@ workflow PIPELINE_INITIALISATION { ch_raw_long_reads = ch_samplesheet.map { meta, sr1, sr2, lr -> if (lr) { - meta.run = meta.run == null ? "0" : meta.run + meta.run = meta.run == [] ? "0" : meta.run return [meta, lr] } } @@ -337,9 +337,9 @@ def validateInputSamplesheet(meta, sr1, sr2, lr) { // Get attribute from genome config file e.g. fasta // def getGenomeAttribute(attribute) { - if (params.genomes && params.genome && params.genomes.containsKey(params.genome)) { - if (params.genomes[params.genome].containsKey(attribute)) { - return params.genomes[params.genome][attribute] + if (params.genomes && params.host_genome && params.genomes.containsKey(params.host_genome)) { + if (params.genomes[params.host_genome].containsKey(attribute)) { + return params.genomes[params.host_genome][attribute] } } return null @@ -349,8 +349,8 @@ def getGenomeAttribute(attribute) { // Exit pipeline if incorrect --genome key provided // def genomeExistsError() { - if (params.genomes && params.genome && !params.genomes.containsKey(params.genome)) { - def error_string = "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + " Genome '${params.genome}' not found in any config files provided to the pipeline.\n" + " Currently, the available genome keys are:\n" + " ${params.genomes.keySet().join(", ")}\n" + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" + if (params.genomes && params.host_genome && !params.genomes.containsKey(params.genome)) { + def error_string = "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~\n" + " Genome '${params.host_genome}' not found in any config files provided to the pipeline.\n" + " Currently, the available genome keys are:\n" + " ${params.host_genomes.keySet().join(", ")}\n" + "~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~" error(error_string) } } From bea3aa63f927f2dbb4914eabff41ddf657fca113 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 11:15:50 +0200 Subject: [PATCH 37/70] Fix gtdbtk default value incompatibility --- conf/test.config | 26 +++++++++++++------------- conf/test_adapterremoval.config | 2 +- conf/test_ancient_dna.config | 2 +- conf/test_bbnorm.config | 2 +- conf/test_binrefinement.config | 2 +- conf/test_busco_auto.config | 2 +- conf/test_concoct.config | 2 +- conf/test_host_rm.config | 2 +- conf/test_hybrid.config | 2 +- conf/test_hybrid_host_rm.config | 2 +- conf/test_nothing.config | 2 +- conf/test_virus_identification.config | 2 +- 12 files changed, 24 insertions(+), 24 deletions(-) diff --git a/conf/test.config b/conf/test.config index 102bab7a..04fced63 100644 --- a/conf/test.config +++ b/conf/test.config @@ -19,19 +19,19 @@ process { } params { - config_profile_name = 'Test profile' - config_profile_description = 'Minimal test dataset to check pipeline function' + config_profile_name = 'Test profile' + config_profile_description = 'Minimal test dataset to check pipeline function' // Input data - input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.multirun.csv' - centrifuge_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_cf.tar.gz' - kraken2_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_kraken.tgz' - skip_krona = false - min_length_unbinned_contigs = 1 - max_unbinned_contigs = 2 - busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" - busco_clean = true - skip_gtdbtk = true - gtdbtk_min_completeness = 0 - skip_concoct = true + input = params.pipelines_testdata_base_path + 'mag/samplesheets/samplesheet.multirun.csv' + centrifuge_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_cf.tar.gz' + kraken2_db = params.pipelines_testdata_base_path + 'mag/test_data/minigut_kraken.tgz' + skip_krona = false + min_length_unbinned_contigs = 1 + max_unbinned_contigs = 2 + busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" + busco_clean = true + skip_gtdbtk = true + gtdbtk_min_completeness = 0.01 + skip_concoct = true } diff --git a/conf/test_adapterremoval.config b/conf/test_adapterremoval.config index df69a54e..63f04cf6 100644 --- a/conf/test_adapterremoval.config +++ b/conf/test_adapterremoval.config @@ -33,7 +33,7 @@ params { max_unbinned_contigs = 2 busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 clip_tool = 'adapterremoval' skip_concoct = true bin_domain_classification = true diff --git a/conf/test_ancient_dna.config b/conf/test_ancient_dna.config index 971ba399..e8dab425 100644 --- a/conf/test_ancient_dna.config +++ b/conf/test_ancient_dna.config @@ -33,7 +33,7 @@ params { max_unbinned_contigs = 2 busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 ancient_dna = true binning_map_mode = 'own' skip_spades = false diff --git a/conf/test_bbnorm.config b/conf/test_bbnorm.config index 1b7734bc..223f99a3 100644 --- a/conf/test_bbnorm.config +++ b/conf/test_bbnorm.config @@ -39,7 +39,7 @@ params { busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" busco_clean = true skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 bbnorm = true coassemble_group = true } diff --git a/conf/test_binrefinement.config b/conf/test_binrefinement.config index 4bed0d5f..9602197c 100644 --- a/conf/test_binrefinement.config +++ b/conf/test_binrefinement.config @@ -33,7 +33,7 @@ params { max_unbinned_contigs = 2 busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 refine_bins_dastool = true refine_bins_dastool_threshold = 0 // TODO not using 'both' until #489 merged diff --git a/conf/test_busco_auto.config b/conf/test_busco_auto.config index 511be6d2..902a8d89 100644 --- a/conf/test_busco_auto.config +++ b/conf/test_busco_auto.config @@ -29,7 +29,7 @@ params { min_length_unbinned_contigs = 1 max_unbinned_contigs = 2 skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 skip_prokka = true skip_prodigal = true skip_quast = true diff --git a/conf/test_concoct.config b/conf/test_concoct.config index f3581a16..2d90ab50 100644 --- a/conf/test_concoct.config +++ b/conf/test_concoct.config @@ -43,5 +43,5 @@ params { skip_prokka = true skip_binqc = true skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 } diff --git a/conf/test_host_rm.config b/conf/test_host_rm.config index d048f9b3..e241e03e 100644 --- a/conf/test_host_rm.config +++ b/conf/test_host_rm.config @@ -30,6 +30,6 @@ params { max_unbinned_contigs = 2 busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 skip_concoct = true } diff --git a/conf/test_hybrid.config b/conf/test_hybrid.config index 6995a594..cfb0991c 100644 --- a/conf/test_hybrid.config +++ b/conf/test_hybrid.config @@ -29,6 +29,6 @@ params { max_unbinned_contigs = 2 busco_db = "https://busco-data.ezlab.org/v5/data/lineages/bacteria_odb10.2024-01-08.tar.gz" skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 skip_concoct = true } diff --git a/conf/test_hybrid_host_rm.config b/conf/test_hybrid_host_rm.config index 2bb1a6a4..9ffd3dc7 100644 --- a/conf/test_hybrid_host_rm.config +++ b/conf/test_hybrid_host_rm.config @@ -31,5 +31,5 @@ params { skip_binqc = true skip_concoct = true skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 } diff --git a/conf/test_nothing.config b/conf/test_nothing.config index 46b12267..0270218f 100644 --- a/conf/test_nothing.config +++ b/conf/test_nothing.config @@ -43,6 +43,6 @@ params { skip_prokka = true skip_binqc = true skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 skip_concoct = true } diff --git a/conf/test_virus_identification.config b/conf/test_virus_identification.config index b5137464..380401b3 100644 --- a/conf/test_virus_identification.config +++ b/conf/test_virus_identification.config @@ -32,7 +32,7 @@ params { reads_minlength = 150 coassemble_group = true skip_gtdbtk = true - gtdbtk_min_completeness = 0 + gtdbtk_min_completeness = 0.01 skip_binning = true skip_prokka = true skip_spades = true From 275579ec6ed976f09a37d990a92bea59e51b60ee Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 11:17:58 +0200 Subject: [PATCH 38/70] Fix check for group column in input --- assets/schema_input.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/assets/schema_input.json b/assets/schema_input.json index c4692eb9..2389d167 100644 --- a/assets/schema_input.json +++ b/assets/schema_input.json @@ -48,7 +48,7 @@ "errorMessage": "FastQ file for long reads cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" } }, - "required": ["sample", "short_reads_1"] + "required": ["sample", "group", "short_reads_1"] }, "uniqueEntries": ["sample", "run"], "dependentRequired": { From 5f2461b2bbae360196522f1ba6aa37f0f80edc6f Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 12:46:33 +0200 Subject: [PATCH 39/70] Remove misleading error messages and allow more string types in run column --- assets/schema_input.json | 18 ++++++------------ 1 file changed, 6 insertions(+), 12 deletions(-) diff --git a/assets/schema_input.json b/assets/schema_input.json index 2389d167..01b494b5 100644 --- a/assets/schema_input.json +++ b/assets/schema_input.json @@ -10,42 +10,36 @@ "sample": { "type": "string", "pattern": "^\\S+$", - "errorMessage": "Sample name must be provided and cannot contain spaces", "meta": ["id"] }, "run": { - "type": "string", + "type": ["string", "integer"], "pattern": "^\\S+$", "meta": ["run"], - "unique": ["sample"], - "errorMessage": "Column 'run' contains an empty field. Either remove column 'run' or fill each field with a value." + "unique": ["sample"] }, "group": { "type": ["string", "integer"], "pattern": "^\\S+$", - "meta": ["group"], - "errorMessage": "Column 'group' contains an empty field. Either remove column 'group' or fill each field with a value." + "meta": ["group"] }, "short_reads_1": { "type": "string", "format": "file-path", "exists": true, - "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "errorMessage": "FastQ file for reads 1 must be provided, cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" + "pattern": "^\\S+\\.f(ast)?q\\.gz$" }, "short_reads_2": { "type": "string", "format": "file-path", "exists": true, - "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "errorMessage": "FastQ file for reads 2 cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" + "pattern": "^\\S+\\.f(ast)?q\\.gz$" }, "long_reads": { "type": "string", "format": "file-path", "exists": true, - "pattern": "^\\S+\\.f(ast)?q\\.gz$", - "errorMessage": "FastQ file for long reads cannot contain spaces and must have extension '.fq.gz' or '.fastq.gz'" + "pattern": "^\\S+\\.f(ast)?q\\.gz$" } }, "required": ["sample", "group", "short_reads_1"] From ae18c3c4487a96b4cf56089a42762ecbe2dbbfcb Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 13:43:33 +0200 Subject: [PATCH 40/70] Use correct input for assembly input and improve schema --- assets/schema_assembly_input.json | 20 ++++++++----------- .../local/utils_nfcore_mag_pipeline/main.nf | 2 +- 2 files changed, 9 insertions(+), 13 deletions(-) diff --git a/assets/schema_assembly_input.json b/assets/schema_assembly_input.json index c6712717..404845b9 100644 --- a/assets/schema_assembly_input.json +++ b/assets/schema_assembly_input.json @@ -1,5 +1,5 @@ { - "$schema": "http://json-schema.org/draft-07/schema", + "$schema": "https://json-schema.org/draft/2020-12/schema", "$id": "https://raw.githubusercontent.com/nf-core/mag/master/assets/schema_input.json", "title": "nf-core/mag pipeline - params.input schema", "description": "Schema for the file provided with params.input", @@ -10,30 +10,26 @@ "id": { "type": "string", "pattern": "^\\S+$", - "errorMessage": "ID must be provided and cannot contain spaces", "meta": ["id"] }, "group": { - "type": "string", + "type": ["string", "integer"], "pattern": "^\\S+$", - "meta": ["group"], - "errorMessage": "Column 'group' contains an empty field. Either remove column 'group' or fill each field with a value." + "meta": ["group"] }, "assembler": { "type": "string", "pattern": "MEGAHIT|SPAdes|SPAdesHybrid", - "meta": ["assembler"], - "errorMessage": "Only MEGAHIT or SPAdes assemblies are supported" + "meta": ["assembler"] }, "fasta": { "type": "string", "format": "file-path", "pattern": "^\\S+\\.(fasta|fas|fa|fna)(\\.gz)?$", - "exists": true, - "unique": true, - "errorMessage": "FastA file with pre-assembled contigs must be provided, cannot contain spaces and must have extension 'fasta', 'fas', 'fa', or 'fna', all optionally gzipped." + "exists": true } }, - "required": ["id", "assembler", "fasta"] - } + "required": ["id", "group", "assembler", "fasta"] + }, + "allOf": [{ "uniqueEntries": ["fasta"] }] } diff --git a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf index d2267c49..11f65460 100644 --- a/subworkflows/local/utils_nfcore_mag_pipeline/main.nf +++ b/subworkflows/local/utils_nfcore_mag_pipeline/main.nf @@ -113,7 +113,7 @@ workflow PIPELINE_INITIALISATION { // Validate PRE-ASSEMBLED CONTIG input when supplied if (params.assembly_input) { - ch_input_assemblies = Channel.fromList(samplesheetToList(params.input, "${projectDir}/assets/schema_assembly_input.json")) + ch_input_assemblies = Channel.fromList(samplesheetToList(params.assembly_input, "${projectDir}/assets/schema_assembly_input.json")) } // Prepare ASSEMBLY input channel From 64009b429cfdfef2e1d72fa843c8cc06721d304b Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 13:52:39 +0200 Subject: [PATCH 41/70] Use more workable Zenodo link for CheckM database --- CHANGELOG.md | 2 ++ nextflow.config | 2 +- 2 files changed, 3 insertions(+), 1 deletion(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 61b8c9a2..291f126b 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,6 +12,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` - [#674](https://github.com/nf-core/mag/pull/674) - Changed to porechop-abi as default adapter trimming tool for long reads. User can still use porechop if preferred (added by @muabnezor) +- [#695](https://github.com/nf-core/mag/pull/695) - Updated to nf-core 3.0.2 `TEMPLATE` (by @jfy133) +- [#695](https://github.com/nf-core/mag/pull/695) - Switch more stable Zenodo link for CheckM data (by @jfy133) ### `Fixed` diff --git a/nextflow.config b/nextflow.config index 1c401c77..02820eb1 100644 --- a/nextflow.config +++ b/nextflow.config @@ -129,7 +129,7 @@ params { busco_auto_lineage_prok = false save_busco_db = false busco_clean = false - checkm_download_url = "https://data.ace.uq.edu.au/public/CheckM_databases/checkm_data_2015_01_16.tar.gz" + checkm_download_url = "https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz" checkm_db = null save_checkm_data = false run_gunc = false From 3f15a3e2be410170c2333723a449e3d5ea1eec7c Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 13:57:19 +0200 Subject: [PATCH 42/70] Sync nextflow schema with nextflow.config --- nextflow_schema.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 7ee90eb9..5d991fae 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -745,7 +745,7 @@ }, "checkm_download_url": { "type": "string", - "default": "https://data.ace.uq.edu.au/public/CheckM_databases/checkm_data_2015_01_16.tar.gz", + "default": "https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz", "hidden": true, "description": "URL pointing to checkM database for auto download, if local path not supplied.", "help_text": "You can use this parameter to point to an online copy of the checkM database TAR archive that the pipeline will use for auto download if a local path is not supplied to `--checkm_db`." From 3104f928c290eb42283a735c6340a55439042e43 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Mon, 21 Oct 2024 14:02:37 +0200 Subject: [PATCH 43/70] Update to Zenodo URL also in test config --- .github/workflows/ci.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 737ca238..d2fa6e12 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -157,7 +157,7 @@ jobs: - name: Download and prepare CheckM database run: | mkdir -p databases/checkm - wget https://data.ace.uq.edu.au/public/CheckM_databases/checkm_data_2015_01_16.tar.gz -P databases/checkm + wget https://zenodo.org/records/7401545/files/checkm_data_2015_01_16.tar.gz -P databases/checkm tar xzvf databases/checkm/checkm_data_2015_01_16.tar.gz -C databases/checkm/ - name: Run pipeline with ${{ matrix.profile }} test profile From 45d3d4be16ed46e7d716fa71938bc114f956ff55 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 08:48:15 +0200 Subject: [PATCH 44/70] Change pplacer paramter to integer and fix useram default to boolean default --- nextflow_schema.json | 5 ++--- 1 file changed, 2 insertions(+), 3 deletions(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index 5d991fae..40e3553e 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -522,14 +522,13 @@ "maximum": 1 }, "gtdbtk_pplacer_cpus": { - "type": "number", - "default": 1.0, + "type": "integer", + "default": 1, "description": "Number of CPUs used for the by GTDB-Tk run tool pplacer.", "help_text": "A low number of CPUs helps to reduce the memory required/reported by GTDB-Tk. See also the [GTDB-Tk documentation](https://ecogenomics.github.io/GTDBTk/faq.html#gtdb-tk-reaches-the-memory-limit-pplacer-crashes)." }, "gtdbtk_pplacer_useram": { "type": "boolean", - "default": false, "description": "Speed up pplacer step of GTDB-Tk by loading to memory.", "help_text": "Will be faster than writing to disk (default setting), however at the expense of much larger memory (RAM) requirements for GDTBTK/CLASSIFY." }, From 0ab0f58bd914ad1dec7eff36ed1086b6f4ea9eee Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 08:54:03 +0200 Subject: [PATCH 45/70] Fix citations indentitation --- CITATIONS.md | 13 ++++++++----- 1 file changed, 8 insertions(+), 5 deletions(-) diff --git a/CITATIONS.md b/CITATIONS.md index f1d95e3e..52caa1e6 100644 --- a/CITATIONS.md +++ b/CITATIONS.md @@ -54,7 +54,7 @@ - [FastQC](https://www.bioinformatics.babraham.ac.uk/projects/fastqc/) -> Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. + > Andrews, S. (2010). FastQC: A Quality Control Tool for High Throughput Sequence Data [Online]. - [Filtlong](https://github.com/rrwick/Filtlong) @@ -64,7 +64,7 @@ - [geNomad](https://doi.org/10.1101/2023.03.05.531206) - > Camargo, A. P., et al. (2023). You can move, but you can’t hide: identification of mobile genetic elements with geNomad. bioRxiv preprint. doi: https://doi.org/10.1101/2023.03.05.531206 + > Camargo, A. P., et al. (2023). You can move, but you can’t hide: identification of mobile genetic elements with geNomad. bioRxiv preprint. doi: 10.1101/2023.03.05.531206 - [GTDB-Tk](https://doi.org/10.1093/bioinformatics/btz848) @@ -96,15 +96,15 @@ - [MetaEuk](https://doi.org/10.1186/s40168-020-00808-x) -> Levy Karin, E., Mirdita, M. & Söding, J. MetaEuk—sensitive, high-throughput gene discovery, and annotation for large-scale eukaryotic metagenomics. Microbiome 8, 48 (2020). https://doi.org/10.1186/s40168-020-00808-x + > Levy Karin, E., Mirdita, M. & Söding, J. MetaEuk—sensitive, high-throughput gene discovery, and annotation for large-scale eukaryotic metagenomics. Microbiome 8, 48 (2020). 10.1186/s40168-020-00808-x - [MMseqs2](https://www.nature.com/articles/nbt.3988) -> Steinegger, M., Söding, J. MMseqs2 enables sensitive protein sequence searching for the analysis of massive data sets. Nat Biotechnol 35, 1026–1028 (2017). https://doi.org/10.1038/nbt.3988 + > Steinegger, M., Söding, J. MMseqs2 enables sensitive protein sequence searching for the analysis of massive data sets. Nat Biotechnol 35, 1026–1028 (2017).10.1038/nbt.3988 - [MultiQC](https://pubmed.ncbi.nlm.nih.gov/27312411/) -> Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924. + > Ewels P, Magnusson M, Lundin S, Käller M. MultiQC: summarize analysis results for multiple tools and samples in a single report. Bioinformatics. 2016 Oct 1;32(19):3047-8. doi: 10.1093/bioinformatics/btw354. Epub 2016 Jun 16. PubMed PMID: 27312411; PubMed Central PMCID: PMC5039924. - [NanoLyse](https://doi.org/10.1093/bioinformatics/bty149) @@ -118,6 +118,8 @@ - [Porechop-abi](https://github.com/bonsai-team/Porechop_ABI) + > Bonenfant, Q., Noé, L., & Touzet, H. (2022). Porechop_ABI: discovering unknown adapters in ONT sequencing reads for downstream trimming. bioRxiv. 10.1101/2022.07.07.499093 + - [Prodigal](https://pubmed.ncbi.nlm.nih.gov/20211023/) > Hyatt D, Chen GL, Locascio PF, Land ML, Larimer FW, Hauser LJ. Prodigal: prokaryotic gene recognition and translation initiation site identification. BMC Bioinformatics. 2010 Mar 8;11:119. doi: 10.1186/1471-2105-11-119. PMID: 20211023; PMCID: PMC2848648. @@ -147,6 +149,7 @@ ## Data - [Full-size test data](https://doi.org/10.1038/s41587-019-0191-2) + > Bertrand, D., Shaw, J., Kalathiyappan, M., Ng, A. H. Q., Kumar, M. S., Li, C., ... & Nagarajan, N. (2019). Hybrid metagenomic assembly enables high-resolution analysis of resistance determinants and mobile elements in human microbiomes. Nature biotechnology, 37(8), 937-944. doi: 10.1038/s41587-019-0191-2. ## Software packaging/containerisation tools From 9a2e958f1d33b75afb6df2a832ca6c8d533de79f Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 09:21:06 +0200 Subject: [PATCH 46/70] Fix GTDBTk Url in schema --- nextflow_schema.json | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow_schema.json b/nextflow_schema.json index dab2eb50..bcbcfa1c 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -542,7 +542,7 @@ "gtdb_db": { "type": "string", "description": "Specify the location of a GTDBTK database. Can be either an uncompressed directory or a `.tar.gz` archive. If not specified will be downloaded for you when GTDBTK or binning QC is not skipped.", - "default": "https://data.ace.uq.edu.au/public/gtdb/data/releases/release220/220.0/auxillary_files/gtdbtk_package/full_package/gtdbtk_r220_data.tar.gz" + "default": "https://data.gtdb.ecogenomic.org/releases/release220/220.0/auxillary_files/gtdbtk_package/full_package/gtdbtk_r220_data.tar.gz" }, "gtdb_mash": { "type": "string", From a77b7c2a09a735c28a7adf8fc5839f672d162593 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 09:27:09 +0200 Subject: [PATCH 47/70] Update CHANGELOG --- CHANGELOG.md | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index ce9b11a5..af6de241 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -12,6 +12,8 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ### `Changed` - [#674](https://github.com/nf-core/mag/pull/674) - Changed to porechop-abi as default adapter trimming tool for long reads. User can still use porechop if preferred (added by @muabnezor) +- [#666](https://github.com/nf-core/mag/pull/666) - Update SPAdes to version 4.0.0, replace both METASPADES and MEGAHIT with official nf-core modules (requested by @elsherbini, fix by @jfy133) +- [#666](https://github.com/nf-core/mag/pull/666) - Update URLs to GTDB database downloads due to server move (reported by @Jokendo-collab, fix by @jfy133) ### `Fixed` @@ -27,6 +29,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 | ------------ | ---------------- | ----------- | | Porechop_ABI | | 0.5.0 | | Filtlong | 0.2.0 | 0.2.1 | +| SPAdes | 3.15.3 | 4.0.0 | ### `Deprecated` @@ -41,7 +44,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - [#664](https://github.com/nf-core/mag/pull/664) - Update GTDBTk to latest version, with updated column names, update GTDB to release 220 (by @dialvarezs) - [#676](https://github.com/nf-core/mag/pull/676) - Added exit code 12 to valid SPAdes retry codes, due to OOM errors from spades-hammer (reported by @bawee, fix by @jfy133) -- [#666](https://github.com/nf-core/mag/pull/666) - Update SPAdes to version 4.0.0, replace both METASPADES and MEGAHIT with official nf-core modules (requested by @elsherbini, fix by @jfy133) ### `Fixed` @@ -54,7 +56,6 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 | Tool | Previous version | New version | | ------ | ---------------- | ----------- | | GTDBTk | 2.3.2 | 2.4.0 | -| SPAdes | 3.15.3 | 4.0.0 | ### `Deprecated` From 717d43348d59b21b3781b62a10f40c4667c562f8 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 09:51:11 +0200 Subject: [PATCH 48/70] Make sure meta mode is executed with the new module --- conf/modules.config | 4 ++-- nextflow_schema.json | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/conf/modules.config b/conf/modules.config index 0e1352f6..20390c6a 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -262,13 +262,13 @@ process { } withName: METASPADES { - ext.args = params.spades_options ?: '' + ext.args = params.spades_options ?: '--meta' ext.prefix = { "SPAdes-${meta.id}" } publishDir = [path: { "${params.outdir}/Assembly/SPAdes" }, mode: params.publish_dir_mode, pattern: "*.{fasta.gz,gfa.gz,fa.gz,log}"] } withName: METASPADESHYBRID { - ext.args = params.spades_options ?: '' + ext.args = params.spades_options ?: '--meta' ext.prefix = { "SPAdesHybrid-${meta.id}" } publishDir = [path: { "${params.outdir}/Assembly/SPAdesHybrid" }, mode: params.publish_dir_mode, pattern: "*.{fasta.gz,gfa.gz,fa.gz,log}"] } diff --git a/nextflow_schema.json b/nextflow_schema.json index ce1cd7c6..1063c4ac 100644 --- a/nextflow_schema.json +++ b/nextflow_schema.json @@ -551,7 +551,7 @@ }, "spades_options": { "type": "string", - "description": "Additional custom options for SPAdes.", + "description": "Additional custom options for SPAdes and SPAdesHybrid. You must also specify `--meta` to run SPAdes in metagenomic mode if customising these options!", "help_text": "An example is adjusting k-mers (\"-k 21,33,55,77\") or adding [advanced options](https://github.com/ablab/spades#advanced-options). But not -t, -m, -o or --out-prefix, because these are already in use. Must be used like this: --spades_options \"-k 21,33,55,77\")" }, "megahit_options": { From ebd18a16da759c9e03d1d2f56f29b0f643220bee Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 10:49:44 +0200 Subject: [PATCH 49/70] Fix linting --- nextflow.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/nextflow.config b/nextflow.config index 02820eb1..12c6c6aa 100644 --- a/nextflow.config +++ b/nextflow.config @@ -90,7 +90,7 @@ params { cat_official_taxonomy = false save_cat_db = false skip_gtdbtk = false - gtdb_db = "https://data.ace.uq.edu.au/public/gtdb/data/releases/release220/220.0/auxillary_files/gtdbtk_package/full_package/gtdbtk_r220_data.tar.gz" + gtdb_db = "https://data.gtdb.ecogenomic.org/releases/release220/220.0/auxillary_files/gtdbtk_package/full_package/gtdbtk_r220_data.tar.gz" gtdb_mash = null gtdbtk_min_completeness = 50.0 gtdbtk_max_contamination = 10.0 From 48cad97806281ec0ffdd556f9156f66c226c9a59 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 10:50:41 +0200 Subject: [PATCH 50/70] Remove a TODO --- conf/base.config | 1 - 1 file changed, 1 deletion(-) diff --git a/conf/base.config b/conf/base.config index e26414bc..21a8ac3e 100644 --- a/conf/base.config +++ b/conf/base.config @@ -10,7 +10,6 @@ process { - // TODO nf-core: Check the defaults for all processes cpus = { 1 * task.attempt } memory = { 7.GB * task.attempt } time = { 4.h * task.attempt } From 860926aae2100cea6c122a6d34842eb2fc06fb14 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 10:52:54 +0200 Subject: [PATCH 51/70] Add MEGAHIT prefix to ensure MEGAHIT at the beginning of the input file name. --- conf/modules.config | 1 + 1 file changed, 1 insertion(+) diff --git a/conf/modules.config b/conf/modules.config index 20390c6a..3a05419f 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -258,6 +258,7 @@ process { withName: MEGAHIT { ext.args = params.megahit_options ?: '' + ext.prefix = { "MEGAHIT-${meta.id}" } publishDir = [path: { "${params.outdir}/Assembly/MEGAHIT" }, mode: params.publish_dir_mode, pattern: "*.{fa.gz,log}"] } From 639addba3fb34849fdc462c44bc0f0680886ac3d Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 10:59:32 +0200 Subject: [PATCH 52/70] Re-add memory explicit parameter to MEGAHIT module (inbuilt into SPAdes module) --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index 3a05419f..f9c3106c 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -257,7 +257,7 @@ process { } withName: MEGAHIT { - ext.args = params.megahit_options ?: '' + ext.args = params.megahit_options ? params.megahit_options + "-m ${task.memory}" : "-m ${task.memory}" ext.prefix = { "MEGAHIT-${meta.id}" } publishDir = [path: { "${params.outdir}/Assembly/MEGAHIT" }, mode: params.publish_dir_mode, pattern: "*.{fa.gz,log}"] } From ec318c79669c2a199358a61f7357e2416e12d774 Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 11:10:58 +0200 Subject: [PATCH 53/70] Re-add MEGAHIT memory --- conf/modules.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/conf/modules.config b/conf/modules.config index f9c3106c..8f2c1042 100644 --- a/conf/modules.config +++ b/conf/modules.config @@ -257,7 +257,7 @@ process { } withName: MEGAHIT { - ext.args = params.megahit_options ? params.megahit_options + "-m ${task.memory}" : "-m ${task.memory}" + ext.args = { params.megahit_options ? params.megahit_options + "-m ${task.memory.toBytes()}" : "-m ${task.memory.toBytes()}" } ext.prefix = { "MEGAHIT-${meta.id}" } publishDir = [path: { "${params.outdir}/Assembly/MEGAHIT" }, mode: params.publish_dir_mode, pattern: "*.{fa.gz,log}"] } From 338a552a0c5d324360c4df69e36aee5c8bf0328d Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 11:41:26 +0200 Subject: [PATCH 54/70] Use HTTPS URL for megahit container --- modules.json | 2 +- modules/nf-core/megahit/main.nf | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/modules.json b/modules.json index 0e50ef75..3eea27cd 100644 --- a/modules.json +++ b/modules.json @@ -174,7 +174,7 @@ }, "megahit": { "branch": "master", - "git_sha": "666652151335353eef2fcd58880bcef5bc2928e1", + "git_sha": "7755db15e36b30da564cd67fffdfe18a255092aa", "installed_by": ["modules"] }, "metabat2/jgisummarizebamcontigdepths": { diff --git a/modules/nf-core/megahit/main.nf b/modules/nf-core/megahit/main.nf index df1f72a7..f6e50f94 100644 --- a/modules/nf-core/megahit/main.nf +++ b/modules/nf-core/megahit/main.nf @@ -3,7 +3,7 @@ process MEGAHIT { label 'process_high' conda "${moduleDir}/environment.yml" container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'oras://community.wave.seqera.io/library/megahit_pigz:657d77006ae5f222' : + 'https://community-cr-prod.seqera.io/docker/registry/v2/blobs/sha256/f2/f2cb827988dca7067ff8096c37cb20bc841c878013da52ad47a50865d54efe83/data' : 'community.wave.seqera.io/library/megahit_pigz:87a590163e594224' }" input: From ed711aa5d64035cd4d1f6c6abf59c7a6962d79bf Mon Sep 17 00:00:00 2001 From: "James A. Fellows Yates" Date: Tue, 22 Oct 2024 14:18:52 +0200 Subject: [PATCH 55/70] Bump version --- assets/multiqc_config.yml | 4 ++-- nextflow.config | 2 +- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/assets/multiqc_config.yml b/assets/multiqc_config.yml index fe8d388f..e9da7a41 100644 --- a/assets/multiqc_config.yml +++ b/assets/multiqc_config.yml @@ -1,7 +1,7 @@ report_comment: > - This report has been generated by the nf-core/mag + This report has been generated by the nf-core/mag analysis pipeline. For information about how to interpret these results, please see the - documentation. + documentation. report_section_order: "nf-core-mag-methods-description": order: -1000 diff --git a/nextflow.config b/nextflow.config index 02820eb1..52d5e25f 100644 --- a/nextflow.config +++ b/nextflow.config @@ -375,7 +375,7 @@ manifest { description = """Assembly, binning and annotation of metagenomes""" mainScript = 'main.nf' nextflowVersion = '!>=24.04.2' - version = '3.1.1dev' + version = '3.2.0' doi = '10.1093/nargab/lqac007' } From daea7890b9d92995f70896239073f41fbc49bd23 Mon Sep 17 00:00:00 2001 From: "James A. 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inkscape:cy="418.57765" + inkscape:zoom="0.66558755" + inkscape:cx="641.53844" + inkscape:cy="333.53989" inkscape:document-units="mm" - inkscape:current-layer="g6248" + inkscape:current-layer="g21914" showgrid="true" inkscape:window-width="1664" inkscape:window-height="1051" @@ -1062,10 +1062,10 @@ inkscape:export-ydpi="289.40701" inkscape:export-xdpi="289.40701" ry="4.5584702" - y="43.085247" - x="-35.226036" - height="74.083328" - width="39.6875" + y="42.83075" + x="-40.226028" + height="74.33783" + width="44.687492" id="rect4728-66" style="fill:#ffffff;fill-opacity:1;stroke:#000000;stroke-width:0.489677;stroke-linecap:square;stroke-linejoin:bevel;stroke-miterlimit:4;stroke-dasharray:none;stroke-dashoffset:0;stroke-opacity:1;paint-order:normal" transform="rotate(-90)" />EvaluationtrimmingtrimmingporechopPorechopporechop_ABIiv3.1v3.2 Date: Thu, 24 Oct 2024 14:37:08 +0200 Subject: [PATCH 57/70] Fix conda environment specification to match container of sub-dependencies --- CHANGELOG.md | 2 +- modules/local/mag_depths_plot.nf | 13 ++++++------- 2 files changed, 7 insertions(+), 8 deletions(-) diff --git a/CHANGELOG.md b/CHANGELOG.md index 43814c4a..56e19847 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -3,7 +3,7 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/) and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html). -## dev [unreleased] +## 3.2.0 [2024-10-25] ### `Added` diff --git a/modules/local/mag_depths_plot.nf b/modules/local/mag_depths_plot.nf index 5f2f44ea..2291ca2d 100644 --- a/modules/local/mag_depths_plot.nf +++ b/modules/local/mag_depths_plot.nf @@ -1,18 +1,17 @@ process MAG_DEPTHS_PLOT { tag "${meta.assembler}-${meta.binner}-${meta.id}" - - conda "conda-forge::python=3.9 conda-forge::pandas=1.3.0 anaconda::seaborn=0.11.0" - container "${ workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container ? - 'https://depot.galaxyproject.org/singularity/mulled-v2-d14219255233ee6cacc427e28a7caf8ee42e8c91:0a22c7568e4a509925048454dad9ab37fa8fe776-0' : - 'biocontainers/mulled-v2-d14219255233ee6cacc427e28a7caf8ee42e8c91:0a22c7568e4a509925048454dad9ab37fa8fe776-0' }" + conda "conda-forge::python=3.9 conda-forge::pandas=1.3.0 conda-forge::seaborn=0.11.0 conda-forge::matplotlib=3.4.2" + container "${workflow.containerEngine == 'singularity' && !task.ext.singularity_pull_docker_container + ? 'https://depot.galaxyproject.org/singularity/mulled-v2-d14219255233ee6cacc427e28a7caf8ee42e8c91:0a22c7568e4a509925048454dad9ab37fa8fe776-0' + : 'biocontainers/mulled-v2-d14219255233ee6cacc427e28a7caf8ee42e8c91:0a22c7568e4a509925048454dad9ab37fa8fe776-0'}" input: tuple val(meta), path(depths) - path(sample_groups) + path sample_groups output: tuple val(meta), path("${meta.assembler}-${meta.binner}-${meta.id}-binDepths.heatmap.png"), emit: heatmap - path "versions.yml" , emit: versions + path "versions.yml", emit: versions script: """ From f1cbfc856d2d22e9eee7bb63a1d695ecb2605360 Mon Sep 17 00:00:00 2001 From: "James A. 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classificationCATGTDB-TkTiaraMetaEukGenome annotationPROKKAProtein-codinggene predictionPRODIGALVirus identificationAssembly(sample- or group-wise)EvaluationQUASTaDNA ValidationpyDamageFreebayesBCFToolsgeNomadSPAdesMEGAHITSPAdesHybridDBBinningMetaBAT2MaxBin2CONCOCTEvaluationBUSCOCheckMGUNCQUAST(Abundance estimation and visualization)v3.2Binning refinementDAS Toolnf-core/magCC-BY 4.0 Design originally by Zandra FagernäsBin post-processing From d61def4392957c7199c7261046cc088095a1b593 Mon Sep 17 00:00:00 2001 From: "James A. 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