Packaging of Graphium 3.0 #2364
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| name: test | |
| on: | |
| push: | |
| branches: ["main"] | |
| tags: ["*"] | |
| pull_request: | |
| branches: | |
| - "*" | |
| - "!gh-pages" | |
| schedule: | |
| - cron: "0 4 * * *" | |
| env: | |
| ENV_FILE: "env.yml" | |
| jobs: | |
| test: | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [windows-latest] # ubuntu-latest, macos-latest | |
| python-version: ["3.11"] # -> Will re-enable support for py312 once pyg is released, "3.10", | |
| runs-on: ${{ matrix.os }} | |
| timeout-minutes: 30 | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| name: | | |
| regular_env - | |
| python=${{ matrix.python-version }} - | |
| os=${{ matrix.os }} | |
| steps: | |
| - name: Checkout the code | |
| uses: actions/checkout@v3 | |
| - name: Set OS-specific environment file to use | |
| run: | | |
| if [ "${{ matrix.os }}" == "windows-latest" ]; then | |
| echo "ENV_FILE=env_windows.yml" >> $GITHUB_ENV; | |
| fi | |
| - name: Setup mamba | |
| uses: mamba-org/setup-micromamba@v1 | |
| with: | |
| environment-file: ${{ env.ENV_FILE }} | |
| environment-name: graphium | |
| cache-environment: true | |
| cache-downloads: true | |
| create-args: >- | |
| python=${{ matrix.python-version }} | |
| # To prevent issues where Windows will re-use old/cached versions of RDKit | |
| - name: Update rdkit version | |
| run: | | |
| micromamba install --force-reinstall rdkit=2024.03.4 | |
| if: matrix.os == 'windows-latest' | |
| - name: Install library | |
| run: python -m pip install --no-deps --no-build-isolation -e . -v # `-e` required for correct `coverage` run. | |
| - name: Run tests | |
| run: | | |
| python -c "import rdkit; print('RDKit version:', rdkit.__version__)" | |
| pytest | |
| - name: Test CLI | |
| run: graphium --help | |
| - name: Test building the doc | |
| run: mkdocs build | |
| - name: Codecov Upload | |
| uses: codecov/codecov-action@v3 | |
| with: | |
| files: ./coverage.xml | |
| flags: unittests | |
| name: codecov-umbrella | |
| fail_ci_if_error: false | |
| verbose: false | |
| env_vars: ${{ matrix.python-version }} |