bond environments: bond-atom neighbouring #615
Workflow file for this run
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| name: Python tests | |
| on: | |
| push: | |
| branches: [main] | |
| pull_request: | |
| # Check all PR | |
| concurrency: | |
| group: python-tests-${{ github.ref }} | |
| cancel-in-progress: ${{ github.ref != 'refs/heads/main' }} | |
| jobs: | |
| tests: | |
| runs-on: ${{ matrix.os }} | |
| name: ${{ matrix.os }} / Python ${{ matrix.python-version }} | |
| container: ${{ matrix.container }} | |
| strategy: | |
| matrix: | |
| include: | |
| - os: ubuntu-22.04 | |
| python-version: "3.9" | |
| - os: ubuntu-22.04 | |
| python-version: "3.12" | |
| - os: macos-14 | |
| python-version: "3.12" | |
| - os: windows-2019 | |
| python-version: "3.12" | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: setup Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: setup rust | |
| uses: dtolnay/rust-toolchain@master | |
| with: | |
| toolchain: stable | |
| - name: install python dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install tox | |
| - name: Setup sccache | |
| uses: mozilla-actions/[email protected] | |
| with: | |
| version: "v0.5.4" | |
| - name: Setup sccache environnement variables | |
| run: | | |
| echo "SCCACHE_GHA_ENABLED=true" >> $GITHUB_ENV | |
| echo "RUSTC_WRAPPER=sccache" >> $GITHUB_ENV | |
| echo "CMAKE_C_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
| echo "CMAKE_CXX_COMPILER_LAUNCHER=sccache" >> $GITHUB_ENV | |
| - name: run tox | |
| run: tox | |
| env: | |
| # Use the CPU only version of torch when building/running the code | |
| PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu | |
| # second set of jobs checking that (non-test) code still compiles/run as expected | |
| prevent-bitrot: | |
| runs-on: ${{ matrix.os }} | |
| name: Python ${{ matrix.python-version }} / check build | |
| strategy: | |
| matrix: | |
| python-version: ['3.9', '3.12'] | |
| os: [ubuntu-22.04] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: setup rust | |
| uses: dtolnay/rust-toolchain@master | |
| with: | |
| toolchain: stable | |
| target: x86_64-unknown-linux-gnu | |
| - name: install python dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| python -m pip install tox | |
| - name: python build tests | |
| run: tox -e build-python | |
| env: | |
| # Use the CPU only version of torch when building/running the code | |
| PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu |