Refactor CI workflow for artifact handling #82
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| name: CI | |
| on: | |
| workflow_dispatch: | |
| pull_request: | |
| branches: | |
| - master | |
| push: | |
| branches: | |
| - master | |
| tags: '*' | |
| release: | |
| types: | |
| - published | |
| jobs: | |
| test: | |
| name: chembl_structure_pipeline (${{ matrix.os }}, ${{ matrix.python-version }}, ${{ matrix.rdkit-version }}) | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: ["ubuntu-latest", "macos-latest"] | |
| python-version: ["3.8", "3.9", "3.10", "3.11", "3.12"] | |
| rdkit-version: ["2023.9.1"] | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install pytest build rdkit==${{ matrix.rdkit-version }} | |
| - name: Test with pytest | |
| run: | | |
| pytest --doctest-modules | |
| - name: Build wheels | |
| run: python -m build | |
| - name: Upload artifacts | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: dist-${{ matrix.os }}-${{ matrix.python-version }}-${{ matrix.rdkit-version }} | |
| path: dist/* | |
| upload_all: | |
| name: Upload if release | |
| runs-on: ubuntu-latest | |
| needs: test | |
| if: github.event_name == 'release' && github.event.action == 'published' | |
| steps: | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: "3.x" | |
| - name: Download all artifacts | |
| uses: actions/download-artifact@v4 | |
| with: | |
| path: artifacts | |
| - name: Collect real packages into dist/ | |
| run: | | |
| mkdir -p dist | |
| # Copy only real distributions (.whl and .tar.gz) | |
| find artifacts -type f \( -name "*.whl" -o -name "*.tar.gz" \) -exec cp {} dist/ \; | |
| echo "=== Final dist contents ===" | |
| ls -al dist | |
| - name: Publish to PyPI | |
| uses: pypa/gh-action-pypi-publish@v1.5.1 | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.pypi_password }} |