[pre-commit.ci] pre-commit autoupdate #86
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: ci | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| pull_request: | |
| branches: | |
| - "main" | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| test: | |
| name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}, OpenMM ${{ matrix.openmm }}, Pydantic ${{ matrix.pydantic-version }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [macOS-latest, ubuntu-latest] | |
| python-version: ["3.10", "3.11", "3.12"] | |
| pydantic-version: ["1", "2"] | |
| openmm: [true, false] | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Install conda environment without OpenMM | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: devtools/conda-envs/test_env.yaml | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| pydantic=${{ matrix.pydantic-version }} | |
| - name: Optionally install OpenMM | |
| if: ${{ matrix.openmm == true }} | |
| run: micromamba install openmm -c conda-forge --yes | |
| - name: Install package | |
| run: python -m pip install -e . | |
| - name: Run mypy | |
| if: ${{ matrix.python-version == 3.10 && matrix.pydantic-version == 2}} | |
| run: mypy -p "openff.models" | |
| - name: Run tests | |
| run: pytest -v -Werror --cov=openff/models --cov-report=xml --color=yes openff/models/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v4 | |
| with: | |
| token: ${{ secrets.CODECOV_TOKEN }} | |
| file: ./coverage.xml | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} |