From 483745992f5894ee42dacb9e9fe06d0785e80b16 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Adri=C3=A1n=20Diaz?= Date: Tue, 9 Jul 2024 10:59:46 +0200 Subject: [PATCH] Fix meta --- recipes/constava/meta.yaml | 26 ++++++++++++++++---------- 1 file changed, 16 insertions(+), 10 deletions(-) diff --git a/recipes/constava/meta.yaml b/recipes/constava/meta.yaml index b588c0e3fac8b..0728c1330ad7c 100644 --- a/recipes/constava/meta.yaml +++ b/recipes/constava/meta.yaml @@ -10,11 +10,13 @@ source: sha256: 25b3c6f1cacdb19e3352192ff3a0318782fcf071cee8a863bd806beb23a8ab74 build: + number: 0 entry_points: - constava = constava.__main__:main noarch: python - script: {{ PYTHON }} -m pip install . -vv - number: 0 + script: "{{ PYTHON }} -m pip install . --ignore-installed --no-deps -vv" + run_exports: + - {{ pin_subpackage('constava', max_pin="x") }} requirements: host: @@ -30,25 +32,29 @@ requirements: test: imports: - constava + - constava.Constava commands: - constava --help about: home: https://bio2byte.be - summary: This software is used to calculate conformational states probability & conformational state variability from a protein structure ensemble. + summary: Calculate conformational states probability and variability from a protein structure ensemble description: | - ConStaVa is a tool for the probabilistic interpretation of large conformational ensembles (e.g. from MD simulations or for intrinsically disordered proteins). - Through analysis of phi/psi angle distributions, it detects six conformational states and calculates the associated 'conformational state variability'. - It so moves away from traditional fixed secondary structure interpretation of models to a more ensemble-oriented interpretation that is useful for dynamic regions of proteins. - Contact (via email): Bio2Byte@vub.be + ConStaVa is a tool for the probabilistic interpretation of large conformational ensembles + (e.g. from MD simulations or for intrinsically disordered proteins). Through analysis of + phi/psi angle distributions, it detects six conformational states and calculates the associated + 'conformational state variability'. It so moves away from traditional fixed secondary structure + interpretation of models to a more ensemble-oriented interpretation that is useful for dynamic + regions of proteins. + Contact (via email): bio2byte@vub.be license: GPLv3 license_file: LICENSE - dev_url: https://bitbucket.org/bio2byte/rrmscorer/ + dev_url: https://github.com/bio2byte/constava doc_url: https://pypi.org/project/constava/ - doc_source_url: https://bitbucket.org/bio2byte/rrmscorer/src/master/readme.md + doc_source_url: https://github.com/Bio2Byte/constava/blob/main/README.md extra: - author: Wim Vranken (wim.vranken@vub.be), Jose Gavalda-Garcia (jose.gavalda.garcia@vub.be), David Bickel (david.bickel@vub.be), Joel Roca-Martinez (joel.roca.martinez@vub.be), Daniele Raimondi (daniele.raimondi@kuleuven.be), Gabriele Orlando (gabriele.orlando@kuleuven.be) + author: Wim Vranken , Jose Gavalda-Garcia , David Bickel , Joel Roca-Martinez , Daniele Raimondi , Gabriele Orlando recipe-maintainers: - Adrián Díaz (@agdiaz) - David Bickel (@aethertier)