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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.41k stars 487 forks source link

test(python): enable building PT OP #3787

Closed njzjz closed 2 months ago

njzjz commented 2 months ago

This enables building PyTorch customized OP in the Python tests for future usage. PyTorch provides undocumented cxx11 CPU-only wheels at https://download.pytorch.org/whl/torch_stable.html.

Summary by CodeRabbit

coderabbitai[bot] commented 2 months ago
Walkthrough ## Walkthrough The updates to the `.github/workflows/test_python.yml` file primarily focus on modifying the package installation commands to ensure compatibility with specific versions of `mpich` and `torch`. Additionally, environment variables such as `PYTORCH_ROOT` and `DP_ENABLE_PYTORCH` are set to configure the testing environment appropriately. These changes aim to streamline the setup process and enhance the integration of PyTorch within the testing workflow. ## Changes | File | Change Summary | |------------------------------------------|------------------------------------------------------------------------------------------------------| | `.github/workflows/test_python.yml` | Updated package installation commands for `mpich` and `torch`, set `PYTORCH_ROOT`, added `DP_ENABLE_PYTORCH`. |
Recent Review Details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between 2bf07698a878e967adcfce858e92e5a3c496e734 and d39e20fcea4c548cc542396a19fd7537cf8b48e7.
Files selected for processing (1) * .github/workflows/test_python.yml (1 hunks)
Additional comments not posted (4)
.github/workflows/test_python.yml (4)
`27-27`: The installation command for `mpich` looks good. --- `28-29`: The installation command for `torch` with a specific version and ABI looks good. --- `30-30`: The command to set the `PYTORCH_ROOT` environment variable looks good. --- `31-38`: The modified `uv pip install` command and the addition of the `DP_ENABLE_PYTORCH` environment variable look good.
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codecov[bot] commented 2 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 82.47%. Comparing base (2bf0769) to head (d39e20f).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3787 +/- ## ========================================== - Coverage 82.49% 82.47% -0.02% ========================================== Files 515 515 Lines 48642 48642 Branches 2980 2979 -1 ========================================== - Hits 40126 40117 -9 - Misses 7605 7614 +9 Partials 911 911 ```

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