added optional dependency: pymatgen (fixed version for now) #297
Workflow file for this run
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| # This workflow will install Python dependencies, lint, and run tests with a variety of Python versions | |
| # For more information see: https://docs.github.com/en/actions/automating-builds-and-tests/building-and-testing-python | |
| name: Test and Lint | |
| on: | |
| push: | |
| pull_request: | |
| jobs: | |
| build: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, windows-latest, macos-latest] | |
| python-version: ["3.10", "3.11", "3.12"] | |
| uv-arg: ["--resolution=lowest", ""] | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install uv | |
| uv pip install ${{ matrix.uv-arg }} --system -r deps/dev_requirements.txt | |
| uv pip install ${{ matrix.uv-arg }} --system -r deps/requirements.txt | |
| uv pip install ${{ matrix.uv-arg }} --system -r deps/pymatgen_requirements.txt | |
| uv pip install ${{ matrix.uv-arg }} --system -r deps/torch_geometric_requirements.txt | |
| uv pip install ${{ matrix.uv-arg }} --system -r deps/torch_requirements.txt | |
| uv pip install ${{ matrix.uv-arg }} --system --no-index -r deps/torch_extra_requirements.txt | |
| - name: Analyzing the code with pylint | |
| if: ${{ matrix.os != 'windows-latest' }} # Windows throws strange linting errors | |
| run: | | |
| pylint $(git ls-files '*.py') | |
| - name: Analyzing the code with flake8 | |
| uses: py-actions/flake8@v2 | |
| with: | |
| max-line-length: "88" | |
| args: "--docstring-convention=numpy --extend-ignore=E203,D105" | |
| plugins: "flake8-bugbear==24.4.26 flake8-docstrings" | |
| - name: Test with pytest | |
| run: | | |
| pytest |