use macos-15 runner #22
Workflow file for this run
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| name: Build and upload to PyPI | |
| on: | |
| # uncomment pr trigger when testing | |
| # pull_request: | |
| # branches: | |
| # - "main" | |
| push: | |
| tags: | |
| - "*" | |
| release: | |
| types: | |
| - published | |
| concurrency: | |
| group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}" | |
| cancel-in-progress: true | |
| defaults: | |
| run: | |
| shell: bash -l {0} | |
| jobs: | |
| build_wheels: | |
| if: "github.repository == 'MDAnalysis/mdaencore'" | |
| name: Build wheels | |
| runs-on: ${{ matrix.buildplat[0] }} | |
| timeout-minutes: 15 | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| buildplat: | |
| - [ubuntu-22.04, manylinux_x86_64, x86_64] | |
| - [windows-2022, win_amd64, AMD64] | |
| - [macos-15, macosx_*, arm64] | |
| python: ["cp311", "cp312", "cp313", "cp314"] | |
| steps: | |
| - uses: actions/checkout@v6 | |
| with: | |
| fetch-depth: 0 | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@v3.4.0 | |
| env: | |
| CIBW_BUILD: ${{ matrix.python }}-${{ matrix.buildplat[1] }} | |
| CIBW_ARCHS: ${{ matrix.buildplat[2] }} | |
| CIBW_BUILD_VERBOSITY: 1 | |
| - name: upload artifacts | |
| if: | | |
| (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')) || | |
| (github.event_name == 'release' && github.event.action == 'published') | |
| uses: actions/upload-artifact@v7 | |
| with: | |
| name: wheel-${{ matrix.buildplat[0] }}-${{ matrix.python }} | |
| path: wheelhouse/*.whl | |
| retention-days: 7 | |
| build_sdist: | |
| if: "github.repository == 'MDAnalysis/mdaencore'" | |
| name: build package source distribution | |
| runs-on: ubuntu-latest | |
| timeout-minutes: 10 | |
| outputs: | |
| version: ${{ steps.extract-version.outputs.version }} | |
| steps: | |
| - uses: actions/checkout@v6 | |
| with: | |
| fetch-depth: 0 | |
| - name: Build sdist | |
| run: pipx run build --sdist | |
| - name: Extract package version | |
| id: extract-version | |
| run: | | |
| SDIST_FILE=$(ls dist/*.tar.gz) | |
| # Extract version from sdist archive (format: mdaencore-1.0.1rc1.tar.gz) | |
| VERSION=$(tar xf ${SDIST_FILE} -O --wildcards '*/*.egg-info/PKG-INFO' | awk '/^Version:/ {print $2}') | |
| echo "version=$VERSION" >> $GITHUB_OUTPUT | |
| echo "Extracted version: $VERSION" | |
| - name: upload artifacts | |
| if: | | |
| (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')) || | |
| (github.event_name == 'release' && github.event.action == 'published') | |
| uses: actions/upload-artifact@v7 | |
| with: | |
| name: dist-files | |
| path: dist/*.tar.gz | |
| retention-days: 7 | |
| upload_testpypi: | |
| if: | | |
| github.repository == 'MDAnalysis/mdaencore' && | |
| (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')) | |
| name: testpypi upload | |
| environment: | |
| name: deploy | |
| url: https://test.pypi.org/p/mdaencore | |
| permissions: | |
| id-token: write | |
| runs-on: ubuntu-latest | |
| needs: [build_wheels, build_sdist] | |
| steps: | |
| - uses: actions/download-artifact@v8 | |
| with: | |
| path: dist | |
| merge-multiple: true | |
| - name: upload_source_and_wheels | |
| uses: pypa/gh-action-pypi-publish@v1.14.0 | |
| with: | |
| skip-existing: true | |
| repository-url: https://test.pypi.org/legacy/ | |
| upload_pypi: | |
| if: | | |
| github.repository == 'MDAnalysis/mdaencore' && | |
| github.event_name == 'release' && github.event.action == 'published' | |
| name: pypi upload | |
| environment: | |
| name: deploy | |
| url: https://pypi.org/p/mdaencore | |
| permissions: | |
| id-token: write | |
| runs-on: ubuntu-latest | |
| needs: [build_wheels, build_sdist] | |
| steps: | |
| - uses: actions/download-artifact@v8 | |
| with: | |
| path: dist | |
| merge-multiple: true | |
| - name: upload_source_and_wheels | |
| uses: pypa/gh-action-pypi-publish@v1.14.0 | |
| check_testpypi: | |
| if: | | |
| github.repository == 'MDAnalysis/mdaencore' && | |
| (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')) | |
| name: testpypi check | |
| runs-on: ${{ matrix.os }} | |
| timeout-minutes: 60 | |
| needs: [upload_testpypi, build_sdist] | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: [ubuntu-latest, macos-latest, windows-latest] | |
| python-version: ["3.11", "3.12", "3.13", "3.14"] | |
| steps: | |
| - name: setup python | |
| uses: actions/setup-python@v6 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Wait for version to be available on TestPyPI (30 seconds) | |
| run: sleep 30 | |
| - name: pip install mdaencore from testpypi (${{ needs.build_sdist.outputs.version }}) | |
| run: | | |
| pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple "mdaencore==${{ needs.build_sdist.outputs.version }}" | |
| - name: install test deps | |
| run: | | |
| pip install pytest scikit-learn MDAnalysisTests | |
| - name: run_tests | |
| run: | | |
| pytest -v --pyargs mdaencore |