release.yml

# .github/workflows/release.yml
# Release workflow that builds and publishes packages to PyPI
# - Builds wheels for all supported Python versions and platforms
# - Builds source distribution
# - Uses __init__.py version as source of truth (supports any valid PEP 440 version)
# - For test builds: adds .devN suffix (e.g., 2.1.0.dev1 or 2.1.0a1.dev1)
# - For production: uses base version, adds .postN only if rebuild needed
# See https://github.com/pypa/cibuildwheel for details
name: Release

on:
  workflow_dispatch:
    inputs:
      is_test:
        description: 'Push to TestPyPI'
        type: boolean
        default: true
        required: true
      build_number:
        description: 'Build number (adds .devN for test, .postN for production rebuild if > 1)'
        type: string
        required: true
        default: '1'

jobs:
  validate-version:
    name: Validate package version
    runs-on: ubuntu-latest
    outputs:
      version: ${{ steps.get-version.outputs.version }}
    steps:
      - name: Checkout repository
        uses: actions/checkout@v4
        with:
          fetch-depth: 0  # Need full history for tags

      - name: Set up Python
        uses: actions/setup-python@v5
        with:
          python-version: '3.13'

      - name: Get version from __init__.py
        id: get-version
        run: |
          # Extract version from __init__.py
          # This supports any valid PEP 440 version including pre-releases (e.g., 2.1.0a1)
          VERSION=$(sed -n "s/^__version__ = '\(.*\)'/\1/p" primer3/__init__.py)
          echo "version=${VERSION}" >> $GITHUB_OUTPUT
          echo "Base version from __init__.py: ${VERSION}"

          # If this is a tagged commit, validate tag matches version
          # For pre-releases: tag should match exactly (e.g., v2.1.0a1)
          GIT_TAG=$(git describe --exact-match --tags HEAD 2>/dev/null || echo "")
          if [[ -n "$GIT_TAG" ]]; then
            # Remove 'v' prefix if present
            TAG_VERSION=${GIT_TAG#v}
            if [[ "$VERSION" != "$TAG_VERSION" ]]; then
              echo "Error: __init__.py version ${VERSION} does not match git tag ${TAG_VERSION}"
              exit 1
            fi
            echo "Version matches git tag"
          fi

  build-wheels:
    name: Build wheel for ${{ matrix.os }} / Python ${{ matrix.python-version }}
    needs: validate-version
    runs-on: ${{ matrix.os }}
    strategy:
      matrix:
        os: [ubuntu-22.04, macos-latest, windows-2022]
        python-version: ["3.9", "3.10", "3.11", "3.12", "3.13", "3.14", "3.15"]
      fail-fast: false

    steps:
      - name: Checkout repository
        uses: actions/checkout@v4

      - name: Configure version
        shell: bash
        run: |
          # Get base version from validate job
          BASE_VERSION="${{ needs.validate-version.outputs.version }}"

          if [[ "${{ inputs.is_test }}" == "true" ]]; then
            # Test builds always use .devN
            VERSION="${BASE_VERSION}.dev${{ inputs.build_number }}"
          else
            # Production builds only use .postN if build_number > 1
            if [[ "${{ inputs.build_number }}" == "1" ]]; then
              VERSION="${BASE_VERSION}"
            else
              # Subtract 1 from build_number for post suffix (so first retry is post1)
              POST_NUM=$((${{ inputs.build_number }} - 1))
              VERSION="${BASE_VERSION}.post${POST_NUM}"
            fi
          fi
          echo "PACKAGE_VERSION=${VERSION}" >> $GITHUB_ENV
          # Update the version in primer3/__init__.py (the single source of
          # truth; pyproject.toml resolves its dynamic version from
          # primer3.__version__, so patching setup.py here is a no-op)
          sed -i.bak "s/^__version__ = '.*'/__version__ = '${VERSION}'/" primer3/__init__.py

      - name: Build wheels
        uses: pypa/cibuildwheel@v4.2.0
        env:
          CIBW_PROJECT_REQUIRES_PYTHON: "==${{ matrix.python-version }}.*"
          CIBW_SKIP: "{*-musllinux_*,pp*}"  # Skip musl linux and PyPy versions
          CIBW_ARCHS_MACOS: "x86_64 arm64"
          CIBW_ARCHS_LINUX: "auto64"
          CIBW_ARCHS_WINDOWS: "auto64"
          MACOSX_DEPLOYMENT_TARGET: "10.14"
          CIBW_BEFORE_BUILD: >-
            python -m pip install --upgrade pip setuptools wheel &&
            cd {project} &&
            python -m pip install -e ".[dev]"
          CIBW_TEST_COMMAND_MACOS: "pytest {project}/tests/test_thermoanalysis.py -v"
          CIBW_TEST_COMMAND_LINUX: "pytest {project}/tests/test_thermoanalysis.py -v"
          CIBW_TEST_COMMAND_WINDOWS: "pytest {project}\\tests\\test_thermoanalysis.py"
          CIBW_BUILD_VERBOSITY: 1

      - name: Upload wheel artifacts
        uses: actions/upload-artifact@v4
        with:
          name: dist-${{ matrix.python-version }}-${{ matrix.os }}
          path: ./wheelhouse/*.whl

  build-sdist:
    name: Build source distribution
    needs: validate-version
    runs-on: ubuntu-latest
    steps:
      - name: Checkout repository
        uses: actions/checkout@v4

      - name: Configure version
        shell: bash
        run: |
          # Get base version from validate job
          BASE_VERSION="${{ needs.validate-version.outputs.version }}"

          if [[ "${{ inputs.is_test }}" == "true" ]]; then
            # Test builds always use .devN
            VERSION="${BASE_VERSION}.dev${{ inputs.build_number }}"
          else
            # Production builds only use .postN if build_number > 1
            if [[ "${{ inputs.build_number }}" == "1" ]]; then
              VERSION="${BASE_VERSION}"
            else
              # Subtract 1 from build_number for post suffix (so first retry is post1)
              POST_NUM=$((${{ inputs.build_number }} - 1))
              VERSION="${BASE_VERSION}.post${POST_NUM}"
            fi
          fi
          echo "PACKAGE_VERSION=${VERSION}" >> $GITHUB_ENV
          # Update the version in primer3/__init__.py (the single source of
          # truth; pyproject.toml resolves its dynamic version from
          # primer3.__version__, so patching setup.py here is a no-op)
          sed -i.bak "s/^__version__ = '.*'/__version__ = '${VERSION}'/" primer3/__init__.py

      - name: Set up Python
        uses: actions/setup-python@v5
        with:
          python-version: '3.13'
          cache: 'pip'

      - name: Install build dependencies
        run: |
          python -m pip install --upgrade pip
          python -m pip install build "setuptools>=67.1.0" "Cython~=3.3.0" wheel

      - name: Build sdist
        run: python -m build --sdist

      - name: Upload sdist artifact
        uses: actions/upload-artifact@v4
        with:
          name: dist-sdist
          path: dist/*.tar.gz

  publish:
    name: Publish to ${{ inputs.is_test && 'TestPyPI' || 'PyPI' }}
    needs: [validate-version, build-wheels, build-sdist]
    runs-on: ubuntu-latest
    permissions:
      id-token: write  # Required for trusted publishing

    steps:
      - name: Download distribution artifacts
        uses: actions/download-artifact@v4
        with:
          path: dist
          merge-multiple: true

      - name: Verify distribution files
        run: ls -lR dist/

      - name: Publish to PyPI
        if: inputs.is_test == false
        uses: pypa/gh-action-pypi-publish@v1.14.3
        with:
          password: ${{ secrets.PRIMER3_PYPI_API_TOKEN }}
          verify-metadata: true
          verbose: true

      - name: Publish to TestPyPI
        if: inputs.is_test == true
        uses: pypa/gh-action-pypi-publish@v1.14.3
        with:
          password: ${{ secrets.PRIMER3_TEST_PYPI_API_TOKEN }}
          repository-url: https://test.pypi.org/legacy/
          verify-metadata: true
          verbose: true
          skip-existing: false