release.yaml

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 }}