build_wheel.yml

name: Build and upload to PyPI

on:
  push:
  pull_request:

jobs:
  determine-arm64-runner:
    runs-on: ubuntu-latest
    permissions: read-all
    outputs:
      runner: ${{ steps.set-runner.outputs.runner }}
    steps:
      - name: Determine which runner to use for ARM64 build
        id: set-runner
        run: |
          if [ "${{ github.repository_owner }}" == "deepmodeling" ]; then
            echo "runner=[\"Linux\",\"ARM64\"]" >> $GITHUB_OUTPUT
          else
            echo "runner=\"ubuntu-latest\"" >> $GITHUB_OUTPUT
          fi

  build_wheels:
    name: Build wheels for cp${{ matrix.python }}-${{ matrix.platform_id }}
    needs: determine-arm64-runner
    runs-on: ${{ matrix.os }}
    strategy:
      fail-fast: false
      matrix:
        include:
          # linux-64
          - os: ubuntu-latest
            python: 311
            platform_id: manylinux_x86_64
            dp_variant: cuda
          # macos-x86-64
          - os: macos-latest
            python: 311
            platform_id: macosx_x86_64
            dp_variant: cpu
          # macos-arm64
          - os: macos-latest
            python: 311
            platform_id: macosx_arm64
            dp_variant: cpu
          # win-64
          - os: windows-2019
            python: 311
            platform_id: win_amd64
            dp_variant: cpu
          # linux-aarch64
          - os: ${{ fromJson(needs.determine-arm64-runner.outputs.runner) }}
            python: 310
            platform_id: manylinux_aarch64
            dp_variant: cpu
    steps:
      - uses: actions/checkout@v4
        with:
          submodules: true
          # https://github.com/pypa/setuptools_scm/issues/480
          fetch-depth: 0
      - uses: docker/setup-qemu-action@v3
        name: Setup QEMU
        if: matrix.platform_id == 'manylinux_aarch64' && matrix.os == 'ubuntu-latest'
      - name: Build wheels
        uses: pypa/cibuildwheel@v2.15
        env:
          CIBW_BUILD_VERBOSITY: 1
          CIBW_ARCHS: all
          CIBW_BUILD: cp${{ matrix.python }}-${{ matrix.platform_id }}
          DP_VARIANT: ${{ matrix.dp_variant }}
      - uses: actions/upload-artifact@v3
        with:
          path: ./wheelhouse/*.whl
  build_sdist:
    name: Build source distribution
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
        with:
          submodules: true
      - uses: actions/setup-python@v4
        name: Install Python
        with:
          python-version: '3.11'
          cache: 'pip'
      - run: python -m pip install build
      - name: Build sdist
        run: python -m build --sdist

      - uses: actions/upload-artifact@v3
        with:
          path: dist/*.tar.gz

  upload_pypi:
    needs: [build_wheels, build_sdist]
    runs-on: ubuntu-latest
    permissions:
      # IMPORTANT: this permission is mandatory for trusted publishing
      id-token: write
    if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags/v')
    steps:
      - uses: actions/download-artifact@v3
        with:
          name: artifact
          path: dist
      - uses: pypa/gh-action-pypi-publish@release/v1

  build_docker:
    # use the already built wheels to build docker
    needs: [build_wheels]
    runs-on: ubuntu-latest
    steps:
      - uses: actions/checkout@v4
      - uses: actions/download-artifact@v3
        with:
          name: artifact
          path: source/install/docker/dist
      - name: Log in to the Container registry
        uses: docker/login-action@343f7c4344506bcbf9b4de18042ae17996df046d
        with:
          registry: ghcr.io
          username: ${{ github.actor }}
          password: ${{ secrets.GITHUB_TOKEN }}

      - name: Extract metadata (tags, labels) for Docker
        id: meta
        uses: docker/metadata-action@96383f45573cb7f253c731d3b3ab81c87ef81934
        with:
          images: ghcr.io/deepmodeling/deepmd-kit

      - name: Build and push Docker image
        uses: docker/build-push-action@0565240e2d4ab88bba5387d719585280857ece09
        with:
          context: source/install/docker
          push: ${{ github.repository_owner == 'deepmodeling' && github.event_name == 'push' }}
          tags: ${{ steps.meta.outputs.tags }}
          labels: ${{ steps.meta.outputs.labels }}

  pass:
    name: Pass testing build wheels
    needs: [build_wheels, build_sdist]
    runs-on: ubuntu-latest
    if: always()
    steps:
    - name: Decide whether the needed jobs succeeded or failed
      uses: re-actors/alls-green@release/v1
      with:
        jobs: ${{ toJSON(needs) }}