build.yaml

name: build

# Build on every branch push, tag push, and pull request change:
#on: [push] #, pull_request]
# Alternatively, to publish when a (published) GitHub Release is created, use the following:
on:
  push:
    branches:
      - 'westpa2'
      - 'develop'
    tags:
      - 'v*'
  pull_request:
    branches:
      - 'westpa2'
  release:
    types:
      - published

jobs:
  build_wheels:
    name: Build py3.${{ matrix.python-version }} wheels on ${{ matrix.os }}
    runs-on: ${{ matrix.os }}
    strategy:
      matrix:
        os: ["ubuntu-latest", "macos-13", "macos-latest"]  # macos-13 is x86_64, macos-latest is arm64
        python-version: [8, 9, 10, 11, 12] # sub-versions of Python
        exclude:
          - os: macos-14
            python-version: 8
    steps:
      - uses: actions/checkout@v4

      - name: "Install HDF5 with brew"
        if: ${{ matrix.os == 'macos-latest' }}
        run: "brew install hdf5"

      - name: Build wheels
        uses: pypa/cibuildwheel@v2.19.2
        env:
          CIBW_SKIP: "pp* *-musllinux*"
          CIBW_BUILD: "cp3${{ matrix.python-version }}-*"
          CIBW_ARCHS_MACOS: "auto64" # x86_64 and arm64, depending on the os
          CIBW_ARCHS_LINUX: "auto64" # x86_64 only
          CIBW_DEPENDENCY_VERSIONS: "latest"
          CIBW_TEST_COMMAND: > 
            python -c "import westpa; print(westpa.__version__)" && 
            python -c "import westpa.core.propagators" &&
            python -c "import westpa.core.binning" &&
            python -c "import westpa.core.kinetics" &&
            python -c "import westpa.core.reweight" &&
            python -c "import westpa.work_managers" &&
            python -c "import westpa.tools" &&
            python -c "import westpa.fasthist" &&
            python -c "import westpa.mclib" &&
            echo "All done with the import tests!"
            # Currently blocked by https://github.com/westpa/westpa/issues/70
            #python -c "import westpa.trajtree"
        with:
          package-dir: .
          output-dir: wheelhouse
          config-file: "{package}/pyproject.toml"

      - uses: actions/upload-artifact@v4
        with:
          name: artifact-wheels-${{ matrix.os }}-${{ matrix.python-version }}
          path: ./wheelhouse/*.whl
          overwrite: true

  build_sdist:
    name: Build source distribution
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
      
      - uses: actions/setup-python@v5
        with:
          python-version: '3.11'

      - name: Build sdist
        run: pipx run build --sdist

      - name: Install from sdist and import
        run: |
          python -m pip install dist/*.tar.gz &&
          python -c "import westpa; print(westpa.__version__)" && 
          python -c "import westpa.core.propagators" &&
          python -c "import westpa.core.binning" &&
          python -c "import westpa.core.kinetics" &&
          python -c "import westpa.core.reweight" &&
          python -c "import westpa.work_managers" &&
          python -c "import westpa.tools" &&
          python -c "import westpa.fasthist" &&
          python -c "import westpa.mclib" &&
          echo "All done with the import tests!"
          # Currently blocked by https://github.com/westpa/westpa/issues/70
          # python -c "import westpa.trajtree"
      - uses: actions/upload-artifact@v4
        with:
          name: artifact-sdist
          path: dist/*.tar.gz
          overwrite: true

  upload_testpypi:
    name: test.pypi
    needs: [build_wheels, build_sdist]
    runs-on: ubuntu-latest
    environment:
      name: test.pypi
      url: https://test.pypi.org/p/westpa
    permissions:
      id-token: write
    # upload to test.PyPI on every tag starting with 'v'; only in westpa/westpa repository
    # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
    # alternatively, to publish when a GitHub Release is created, use the following rule:
    if: |
      github.repository == 'westpa/westpa' &&
      (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v'))
    steps:
      - uses: actions/download-artifact@v4
        with:
          # unpacks default artifact into dist/
          # if `name: artifact` is omitted, the action will create extra parent dir
          pattern: artifact-*
          path: dist
          merge-multiple: true

      - uses: pypa/gh-action-pypi-publish@release/v1
        with:
          repository_url: https://test.pypi.org/legacy/

  upload_pypi:
    name: PyPI
    needs: [build_wheels, build_sdist]
    runs-on: ubuntu-latest
    environment:
      name: pypi
      url: https://pypi.org/p/westpa
    permissions:
      id-token: write
    # upload to PyPI on every tag starting with 'v'
    # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
    # alternatively, to publish when a GitHub Release is created, use the following rule:
    if: |
      github.repository == 'westpa/westpa' &&
      (github.event_name == 'release' && github.event.action == 'published')
    steps:
      - uses: actions/download-artifact@v4
        with:
          # unpacks default artifact into dist/
          # if `name: artifact` is omitted, the action will create extra parent dir
          pattern: artifact-*
          path: dist
          merge-multiple: true

      - uses: pypa/gh-action-pypi-publish@release/v1
          # To test: 
          #repository_url: https://test.pypi.org/legacy/