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Bumped all dependencies in the project #74

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merged 1 commit into from
Dec 17, 2024
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@fschuch fschuch commented Dec 17, 2024

Summary by CodeRabbit

  • New Features

    • Updated dependencies to newer versions, potentially introducing new features and improvements.
  • Chores

    • Modified build system requirements to utilize updated versions of hatchling and hatch-vcs.

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coderabbitai bot commented Dec 17, 2024

Walkthrough

The pull request focuses on updating dependency versions in the pyproject.toml file. The changes primarily involve upgrading various Python package dependencies to their latest versions, including significant updates to scientific computing and data processing libraries like NumPy, Pandas, Dask, and SciPy. Additionally, the build system requirements for Hatchling and Hatch-VCS have been updated to newer versions.

Changes

File Changes
pyproject.toml - Updated build system requirements:
- hatchling from >=1.21.0 to >=1.27.0
- hatch-vcs from >=0.3.0 to >=0.4.0
- Updated dependencies to newer versions:
- dask[complete]: >=2.22>=2024.8
- ipywidgets: >=7.5>=8.1
- loguru: >=0.6>=0.7
- netcdf4: >=1.6.3>=1.7
- numba: >=0.50.1>=0.60
- numpy-stl: >=2.16.3>=3.2
- numpy: >=1.22>=2.0
- pandas: >=1.1>=2.2
- scipy: >=1.5>=1.13
- tqdm: >=4.62>=4.67
- traitlets: >=4.3>=5.14
- xarray: >=0.16>=2024.7

Poem

🐰 Dependency Dance

Versions leap, packages grow tall,
Hatchling and NumPy, standing proud and small,
Dask and Pandas, a version parade,
Updating libraries, a rabbit's upgrade!
Code hops forward, dependencies bright! 🚀


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@fschuch fschuch added the dependencies Pull requests that update a dependency file label Dec 17, 2024
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Actionable comments posted: 1

🧹 Nitpick comments (1)
pyproject.toml (1)

24-24: Note the calendar versioning adoption in dependencies.

Both dask and xarray have moved to calendar versioning (CalVer):

  • dask[complete]>=2024.8
  • xarray>=2024.7

This change in versioning scheme might affect how you handle future updates. Consider:

  1. Updating your dependency management strategy
  2. Adjusting CI/CD pipelines for CalVer

Also applies to: 36-36

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL
Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between 73cc3a8 and b75cadd.

📒 Files selected for processing (1)
  • pyproject.toml (2 hunks)
🔇 Additional comments (3)
pyproject.toml (3)

2-2: LGTM: Build system requirements updated safely.

The updates to hatchling and hatch-vcs are minor version bumps that should maintain backward compatibility.


29-29: ⚠️ Potential issue

Verify Numba compatibility with NumPy 2.0.

The update to numba>=0.60 needs special attention due to its deep integration with NumPy. Ensure Numba's JIT compilation continues to work with NumPy 2.0 array operations.


24-24: ⚠️ Potential issue

⚠️ Verify compatibility with major NumPy and Pandas updates.

The updates to numpy>=2.0 and pandas>=2.2 introduce significant breaking changes that require careful verification:

  • NumPy 2.0 includes array API changes and deprecations
  • Pandas 2.2 has breaking changes in data frame operations

Please ensure:

  1. Test suite passes with the new versions
  2. Review the migration guides:

Also applies to: 31-31, 32-32

✅ Verification successful

✅ Limited NumPy usage with basic operations, no Pandas dependencies found

The codebase shows:

  • NumPy usage is limited to basic array operations (zeros, array creation, logical operations) that are stable across versions
  • No usage of deprecated or significantly changed NumPy APIs from 2.0
  • No Pandas dependencies or usage found in the codebase
  • No direct Dask imports found, suggesting Dask is likely used as a backend dependency
🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Search for potential compatibility issues with numpy/pandas APIs
# Look for common patterns that might be affected by breaking changes

# Check for numpy array operations that might be affected
echo "Checking NumPy API usage..."
rg -l 'np\.(array|asarray|matrix|concatenate|stack|vstack|hstack|dstack|column_stack|row_stack|array_split|split|hsplit|vsplit|dsplit|reshape|resize|flatten|ravel|squeeze|expand_dims|broadcast_to|broadcast_arrays|atleast_1d|atleast_2d|atleast_3d|vander|tri|tril|triu|toeplitz|circulant|eye|identity|diag|diagflat|trace|diagonal|triangular|tril_indices|triu_indices|mask_indices|tril_indices_from|triu_indices_from|mask_indices_from|ix_|ogrid|mgrid|r_|c_|s_|index_exp|fill_diagonal|diag_indices|diag_indices_from)' 

# Check for pandas operations that might need updates
echo "Checking Pandas API usage..."
rg -l 'pd\.(DataFrame|Series|concat|merge|join|pivot|pivot_table|melt|wide_to_long|get_dummies|cut|qcut|eval|query|rank|nlargest|nsmallest|pct_change|shift|tshift|rolling|expanding|ewm|window|resample|rolling_mean|rolling_std|rolling_var|rolling_min|rolling_max|rolling_sum|rolling_count|rolling_median|rolling_skew|rolling_kurt|rolling_apply|rolling_quantile|rolling_cov|rolling_corr|rolling_window|ewma|ewmstd|ewmvar|ewmcorr|ewmcov)'

Length of output: 1172


Script:

#!/bin/bash
# Let's examine the actual NumPy usage in the identified files
echo "=== NumPy usage in sandbox.py ==="
rg -A 2 'np\.' xcompact3d_toolbox/sandbox.py

echo -e "\n=== NumPy usage in genepsi.py ==="
rg -A 2 'np\.' xcompact3d_toolbox/genepsi.py

echo -e "\n=== NumPy usage in test_sandbox.py ==="
rg -A 2 'np\.' tests/unit/test_sandbox.py

# Let's also check for dask usage since it's the package being updated
echo -e "\n=== Dask usage patterns ==="
rg -l "import dask"
rg -l "from dask"

Length of output: 3921

pyproject.toml Show resolved Hide resolved
@fschuch fschuch merged commit 5be881b into main Dec 17, 2024
24 checks passed
@fschuch fschuch deleted the dependecies/bump-version branch December 17, 2024 12:29
@fschuch fschuch changed the title Bump all dependencies in the project Bumped all dependencies in the project Dec 17, 2024
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