Bump the github-actions group across 1 directory with 2 updates #1770
Workflow file for this run
This file contains hidden or 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: pytest | |
| on: | |
| push: | |
| branches: | |
| - "develop" | |
| - "master" | |
| pull_request: | |
| branches: | |
| - "*" | |
| schedule: | |
| # Nightly tests (on master) | |
| - cron: "0 0 * * *" | |
| defaults: | |
| run: | |
| # conda setup requires this special shell | |
| shell: bash -l {0} | |
| jobs: | |
| test: | |
| name: Test ${{ matrix.os }}-${{ matrix.python-version }}-${{ matrix.chemlib }}-${{ matrix.graphlib }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| os: [macos-latest, ubuntu-latest, windows-latest] | |
| python-version: ["3.11", "3.12", "3.13", "3.14"] | |
| chemlib: [obabel, rdkit] | |
| graphlib: [nogt, all] | |
| exclude: | |
| # graph-tool does not work on Windows | |
| - {os: "windows-latest", graphlib: "all"} | |
| # Don't run without graph-tool on Ubuntu and macOS | |
| - {os: "ubuntu-latest", graphlib: "nogt"} | |
| - {os: "macos-latest", graphlib: "nogt"} | |
| # Open Babel has not been updated for Python 3.13 and 3.14 | |
| - {chemlib: "obabel", python-version: "3.13"} | |
| - {chemlib: "obabel", python-version: "3.14"} | |
| steps: | |
| - uses: actions/checkout@v5 | |
| - name: Info | |
| shell: bash | |
| run: | | |
| uname -a | |
| df -h | |
| ulimit -a | |
| - uses: conda-incubator/setup-miniconda@v3 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| environment-file: devtools/conda-envs/spyrmsd-test-${{ matrix.chemlib }}-${{ matrix.graphlib }}.yaml | |
| miniforge-version: "latest" | |
| activate-environment: spyrmsd | |
| use-mamba: true | |
| auto-update-conda: true | |
| auto-activate-base: false | |
| show-channel-urls: true | |
| - name: Install | |
| run: | | |
| python -m pip install . --no-deps | |
| mamba info | |
| mamba list | |
| - name: Test | |
| run: | | |
| pytest -v --benchmark --cov=spyrmsd --cov-report=xml --color=yes tests/ | |
| - name: CodeCov | |
| uses: codecov/codecov-action@v5 | |
| with: | |
| file: ./coverage.xml | |
| flags: unittests | |
| name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}-${{ matrix.chemlib }}-${{ matrix.graphlib }} |