Merge pull request #1294 from glotzerlab/nanobind-diffraction #40
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| name: release | |
| permissions: | |
| contents: write | |
| concurrency: | |
| group: ${{ github.workflow }}-${{ github.ref }} | |
| cancel-in-progress: true | |
| on: | |
| push: | |
| branches: | |
| - "main" | |
| - "nanobind" | |
| - "next" | |
| tags: | |
| - "*" | |
| pull_request: | |
| workflow_dispatch: | |
| defaults: | |
| run: | |
| shell: bash | |
| env: | |
| name: freud | |
| SLACK_WEBHOOK_URL: ${{ secrets.SLACK_WEBHOOK_URL }} | |
| jobs: | |
| build_wheels: | |
| name: Build wheels [${{ matrix.python.version }}, ${{ matrix.os.base }}-${{ matrix.os.arch }}] | |
| runs-on: ${{ matrix.os.base }}-${{ matrix.os.version }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| os: | |
| - base: ubuntu | |
| version: latest | |
| arch: 'x86_64' | |
| # - base: windows | |
| # version: latest | |
| # arch: 'amd64' | |
| - base: macos | |
| version: 14 | |
| arch: 'arm64' | |
| - base: macos | |
| version: 13 | |
| arch: 'x86_64' | |
| python: | |
| # Pinned versions installed in CIBW_TEST_REQIURES are kept. Those defined installed in | |
| # CIBW_BEFORE_TEST are often upgraded when the wheel is installed. This means we can't | |
| # store the pinned requirements in a requirements file. | |
| # Generate these version sets with commands like this: | |
| # echo -e "numpy==1.21.6\nscipy\ngsd\nmatplotlib\nsympy" | uv pip compile --python-platform linux --python-version 3.9 --only-binary :all: - --resolution=lowest --no-deps | |
| - version: 'cp39' | |
| oldest_numpy: '1.22.4' | |
| oldest_scipy: '1.7.3' | |
| oldest_gsd: '2.5.0' | |
| oldest_matplotlib: '3.5.0' | |
| oldest_pytest: '8.2.1' | |
| oldest_sympy: '1.10' | |
| - version: 'cp310' | |
| oldest_numpy: '1.22.4' | |
| oldest_scipy: '1.7.3' | |
| oldest_gsd: '2.7.0' | |
| oldest_matplotlib: '3.5.0' | |
| oldest_pytest: '8.2.1' | |
| oldest_sympy: '1.10' | |
| - version: 'cp311' | |
| oldest_numpy: '1.23.2' | |
| oldest_scipy: '1.9.2' | |
| oldest_gsd: '2.7.0' | |
| oldest_matplotlib: '3.6.0' | |
| oldest_pytest: '8.2.1' | |
| oldest_sympy: '1.10' | |
| - version: 'cp312' | |
| oldest_numpy: '1.26.2' | |
| oldest_scipy: '1.11.2' | |
| oldest_gsd: '3.2.0' | |
| oldest_matplotlib: '3.7.3' | |
| oldest_pytest: '8.2.1' | |
| oldest_sympy: '1.10' | |
| - version: 'cp313' | |
| oldest_numpy: '2.1.2' | |
| oldest_scipy: '1.14.1' | |
| oldest_gsd: '3.4.1' | |
| oldest_matplotlib: '3.9.2' | |
| oldest_pytest: '8.2.1' | |
| oldest_sympy: '1.10' | |
| steps: | |
| - name: checkout | |
| uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7 | |
| with: | |
| submodules: "recursive" | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@bd033a44476646b606efccdd5eed92d5ea1d77ad # v2.20.0 | |
| env: | |
| CIBW_BUILD: "${{ matrix.python.version }}-*" | |
| CIBW_SKIP: "{pp*,*-musllinux_*}" | |
| # Build only on 64-bit architectures. | |
| CIBW_ARCHS: auto64 | |
| # Configure environment variables. | |
| CIBW_ENVIRONMENT_LINUX: "CMAKE_PREFIX_PATH=/project/tbb LD_LIBRARY_PATH=/project/tbb/lib/intel64/gcc4.8:$LD_LIBRARY_PATH CMAKE_ARGS=-DCMAKE_INSTALL_RPATH_USE_LINK_PATH=True" | |
| CIBW_ENVIRONMENT_MACOS: "CMAKE_PREFIX_PATH=/Users/runner/work/freud/freud/tbb:/Users/runner/work/tbb-install CMAKE_ARGS=-DCMAKE_INSTALL_RPATH_USE_LINK_PATH=True" | |
| MACOSX_DEPLOYMENT_TARGET: "11.0" | |
| # Set up TBB. | |
| CIBW_BEFORE_BUILD_LINUX: "source .github/workflows/cibuildwheel-before-build.sh {package} linux" | |
| CIBW_BEFORE_BUILD_MACOS: "source .github/workflows/cibuildwheel-before-build.sh {package} macos" | |
| CIBW_BEFORE_BUILD_WINDOWS: "powershell .github/workflows/cibuildwheel-before-build.ps1 {package}" | |
| # Test the wheels. | |
| CIBW_TEST_REQUIRES: > | |
| pytest==${{ matrix.python.oldest_pytest }} | |
| sympy==${{ matrix.python.oldest_sympy }} | |
| numpy==${{ matrix.python.oldest_numpy }} | |
| scipy==${{ matrix.python.oldest_scipy }} | |
| gsd==${{ matrix.python.oldest_gsd }} | |
| matplotlib==${{ matrix.python.oldest_matplotlib }} | |
| # Test only the currently ported modules | |
| CIBW_TEST_COMMAND: "cd {package}/tests && pytest test_box_box.py test_parallel.py test_locality_*.py test_data.py test_pmft.py test_util.py test_msd_msd.py test_interface.py test_order_*.py test_cluster.py test_diffraction_*.py -v --log-level=DEBUG" | |
| # CIBW_TEST_COMMAND: "cd {package}/tests && pytest . -v --log-level=DEBUG" | |
| - uses: actions/upload-artifact@834a144ee995460fba8ed112a2fc961b36a5ec5a # v4.3.6 | |
| with: | |
| name: dist-${{ matrix.os.base }}-${{ matrix.os.version }}-${{ matrix.python.version }} | |
| path: ./wheelhouse/*.whl | |
| build_sdist: | |
| name: Build source distribution | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: checkout | |
| uses: actions/checkout@692973e3d937129bcbf40652eb9f2f61becf3332 # v4.1.7 | |
| with: | |
| submodules: "recursive" | |
| - name: Set up Python | |
| uses: actions/setup-python@82c7e631bb3cdc910f68e0081d67478d79c6982d # v5.1.0 | |
| with: | |
| python-version: "3.13" | |
| - name: Set up Python environment | |
| uses: glotzerlab/workflows/setup-uv@e130dd2814c7db5635babe4427dedcbd5aab76d4 # 0.5.0 | |
| with: | |
| lockfile: ".github/workflows/environments/requirements-build-sdist.txt" | |
| - name: Build sdist | |
| run: python -m build --installer uv --sdist --outdir dist/ . | |
| - name: Check sdist size | |
| run: du -hs dist/* | |
| - uses: actions/upload-artifact@834a144ee995460fba8ed112a2fc961b36a5ec5a # v4.3.6 | |
| with: | |
| name: dist-sdist | |
| path: dist/*.tar.gz | |
| upload_pypi: | |
| name: Publish [PyPI] | |
| needs: [build_wheels, build_sdist] | |
| runs-on: ubuntu-latest | |
| concurrency: upload | |
| steps: | |
| - name: Download artifacts | |
| uses: actions/download-artifact@fa0a91b85d4f404e444e00e005971372dc801d16 # v4.1.8 | |
| with: | |
| merge-multiple: 'true' | |
| pattern: dist-* | |
| path: dist | |
| - name: Check files | |
| run: ls -lR dist | |
| - name: Upload to PyPI | |
| # upload to PyPI on every tag starting with 'v' | |
| if: startsWith(github.ref, 'refs/tags/v') | |
| uses: pypa/gh-action-pypi-publish@ec4db0b4ddc65acdf4bff5fa45ac92d78b56bdf0 # v1.9.0 | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.PYPI_API_TOKEN }} | |
| - name: Slack notification | |
| if: startsWith(github.ref, 'refs/tags/v') || failure() | |
| uses: act10ns/slack@44541246747a30eb3102d87f7a4cc5471b0ffb7d # v2.1.0 | |
| with: | |
| status: ${{ job.status }} | |
| channel: '#dev-freud' | |
| source: | |
| name: Build source tarball | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@d632683dd7b4114ad314bca15554477dd762a938 # v4.2.0 | |
| with: | |
| path: code | |
| submodules: true | |
| - name: Determine filename-safe ref from GITHUB_REF_NAME | |
| run: echo ref="$(echo "${GITHUB_REF_NAME}" | sed -e 's/\//-/g')" >> "$GITHUB_ENV" | |
| - name: Copy source | |
| run: cp -R code "${name}-${ref}" | |
| - name: Remove .git | |
| run: rm -rf "${name}-${ref}/.git" | |
| - name: Remove examples data | |
| run: rm -rf "${name}-${ref}/doc/source/gettingstarted/examples" && ls -laR "${name}-${ref}" | |
| - name: Tar/zstd source | |
| run: tar --zstd -cvf "${name}-${ref}.tar.zst" "${name}-${ref}" | |
| - uses: actions/upload-artifact@50769540e7f4bd5e21e526ee35c689e35e0d6874 # v4.4.0 | |
| with: | |
| name: source | |
| path: | | |
| *.tar.* | |
| release-notes: | |
| name: Extract release notes | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@d632683dd7b4114ad314bca15554477dd762a938 # v4.2.0 | |
| with: | |
| path: code | |
| - name: Write release-notes.md | |
| # 1. Search for the content from the start of the file to the 2nd version heading. | |
| # 2. Remove the 2nd version heading. | |
| # 3. Search for the content after the first version heading (removes any description at the | |
| # start of the file. | |
| # 4. Remove the 1st version heading. | |
| # This leaves the content of the release notes for the current release. | |
| run: > | |
| grep -P -m 2 -B 10000 "^## v*\d*\.\d*\.\d*" ChangeLog.md | | |
| sed '$d' | | |
| grep -P -A 10000 "^## v*\d*\.\d*\.\d*" | | |
| sed '1d' | | |
| tee "${GITHUB_WORKSPACE}/release-notes.md" | |
| working-directory: code | |
| - uses: actions/upload-artifact@50769540e7f4bd5e21e526ee35c689e35e0d6874 # v4.4.0 | |
| with: | |
| name: release-notes | |
| path: | | |
| release-notes.md | |
| publish_github: | |
| name: Publish [GitHub] | |
| needs: [release-notes, source] | |
| runs-on: ubuntu-latest | |
| steps: | |
| - name: Download artifacts | |
| uses: actions/download-artifact@fa0a91b85d4f404e444e00e005971372dc801d16 # v4.1.8 | |
| with: | |
| merge-multiple: true | |
| - name: List files | |
| run: ls -lR | |
| - name: Create release | |
| uses: softprops/action-gh-release@c062e08bd532815e2082a85e87e3ef29c3e6d191 # v2.0.8 | |
| if: startsWith(github.ref, 'refs/tags/') | |
| with: | |
| files: | | |
| *.zst | |
| body_path: release-notes.md | |
| make_latest: true | |
| env: | |
| GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} |