Merge pull request #34 from MDAnalysis/prep-121-release #18
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| name: Build and upload to PyPi | |
| on: | |
| push: | |
| tags: | |
| - "*" | |
| release: | |
| types: | |
| - published | |
| concurrency: | |
| group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}" | |
| cancel-in-progress: false | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| build: | |
| name: Build package | |
| if: github.repository == 'MDAnalysis/PathSimAnalysis' | |
| runs-on: ubuntu-latest | |
| outputs: | |
| version: ${{ steps.extract-version.outputs.version }} | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v7 | |
| with: | |
| fetch-depth: 0 | |
| fetch-tags: true | |
| - name: Set up Python | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: "3.11" | |
| - name: Install build dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install "setuptools>=61.2,<81" build twine | |
| - name: Build package (wheel and sdist) | |
| run: python -m build | |
| - name: Check package | |
| run: twine check dist/* | |
| - name: Extract package version | |
| id: extract-version | |
| run: | | |
| WHEEL_FILE=$(ls dist/*.whl) | |
| VERSION=$(basename "$WHEEL_FILE" | sed -n 's/pathsimanalysis-\([^-]*\)-.*/\1/p') | |
| if [ -z "$VERSION" ]; then | |
| pip install "$WHEEL_FILE" --quiet | |
| VERSION=$(python -c "import pathsimanalysis; print(pathsimanalysis.__version__)") | |
| pip uninstall -y pathsimanalysis --quiet | |
| fi | |
| echo "version=$VERSION" >> "$GITHUB_OUTPUT" | |
| echo "Extracted version: $VERSION" | |
| - name: Upload dist files | |
| uses: actions/upload-artifact@v7 | |
| with: | |
| name: dist-files | |
| path: dist/ | |
| retention-days: 1 | |
| test-pytest: | |
| name: Run tests | |
| if: github.repository == 'MDAnalysis/PathSimAnalysis' | |
| runs-on: ubuntu-latest | |
| needs: build | |
| steps: | |
| - name: Set up Python | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: "3.11" | |
| - name: Download dist files | |
| uses: actions/download-artifact@v8 | |
| with: | |
| name: dist-files | |
| path: dist/ | |
| - name: Install wheel with test extras | |
| run: | | |
| python -m pip install --upgrade pip | |
| WHEEL_FILE=$(ls dist/*.whl) | |
| pip install "${WHEEL_FILE}[test]" | |
| - name: Test import | |
| run: | | |
| python -c "import pathsimanalysis; print(f'Package {pathsimanalysis.__version__} imported successfully')" | |
| - name: Run tests | |
| run: pytest -v --pyargs pathsimanalysis.tests | |
| deploy-testpypi: | |
| name: Deploy to TestPyPI | |
| if: | | |
| github.repository == 'MDAnalysis/PathSimAnalysis' && | |
| (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')) | |
| runs-on: ubuntu-latest | |
| needs: [build, test-pytest] | |
| environment: | |
| name: deploy | |
| url: https://test.pypi.org/p/pathsimanalysis | |
| permissions: | |
| id-token: write | |
| steps: | |
| - name: Download dist files | |
| uses: actions/download-artifact@v8 | |
| with: | |
| name: dist-files | |
| path: dist/ | |
| - name: Publish to TestPyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| repository-url: https://test.pypi.org/legacy/ | |
| verbose: true | |
| skip-existing: true | |
| deploy-pypi: | |
| name: Deploy to PyPI | |
| if: | | |
| github.repository == 'MDAnalysis/PathSimAnalysis' && | |
| (github.event_name == 'release' && github.event.action == 'published') | |
| runs-on: ubuntu-latest | |
| needs: [build, test-pytest] | |
| environment: | |
| name: deploy | |
| url: https://pypi.org/p/pathsimanalysis | |
| permissions: | |
| id-token: write | |
| steps: | |
| - name: Download dist files | |
| uses: actions/download-artifact@v8 | |
| with: | |
| name: dist-files | |
| path: dist/ | |
| - name: Publish to PyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| test-deployed-testpypi: | |
| name: Test deployed package (TestPyPI) | |
| if: | | |
| github.repository == 'MDAnalysis/PathSimAnalysis' && | |
| (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')) | |
| runs-on: ubuntu-latest | |
| needs: [build, deploy-testpypi] | |
| steps: | |
| - name: Checkout repository for actions | |
| uses: actions/checkout@v7 | |
| - name: Set up Python | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: "3.11" | |
| - name: Wait for version to be available on TestPyPI | |
| uses: ./.github/actions/wait-for-pypi-version | |
| with: | |
| repository: testpypi | |
| package: pathsimanalysis | |
| version: ${{ needs.build.outputs.version }} | |
| - name: Install from TestPyPI | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple/ "pathsimanalysis[test]==${{ needs.build.outputs.version }}" | |
| - name: Test import | |
| run: | | |
| python -c "import pathsimanalysis; print(f'Package {pathsimanalysis.__version__} imported successfully from TestPyPI')" | |
| - name: Run tests | |
| run: pytest -v --pyargs pathsimanalysis.tests | |
| test-deployed-pypi: | |
| name: Test deployed package (PyPI) | |
| if: | | |
| github.repository == 'MDAnalysis/PathSimAnalysis' && | |
| (github.event_name == 'release' && github.event.action == 'published') | |
| runs-on: ubuntu-latest | |
| needs: [build, deploy-pypi] | |
| steps: | |
| - name: Checkout repository for actions | |
| uses: actions/checkout@v7 | |
| - name: Set up Python | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: "3.11" | |
| - name: Wait for version to be available on PyPI | |
| uses: ./.github/actions/wait-for-pypi-version | |
| with: | |
| repository: pypi | |
| package: pathsimanalysis | |
| version: ${{ needs.build.outputs.version }} | |
| - name: Install from PyPI | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install "pathsimanalysis[test]==${{ needs.build.outputs.version }}" | |
| - name: Test import | |
| run: | | |
| python -c "import pathsimanalysis; print(f'Package {pathsimanalysis.__version__} imported successfully from PyPI')" | |
| - name: Run tests | |
| run: pytest -v --pyargs pathsimanalysis.tests |