remove argument on ener_min and ener_max
#117
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| name: Build and upload to PyPI | |
| on: | |
| push: | |
| pull_request: | |
| jobs: | |
| build_wheels: | |
| name: Build wheels for cp${{ matrix.python }}-${{ matrix.platform_id }} | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| fail-fast: false | |
| matrix: | |
| include: | |
| # linux-64 | |
| - os: ubuntu-latest | |
| python: 311 | |
| platform_id: manylinux_x86_64 | |
| dp_variant: cuda | |
| # macos-x86-64 | |
| - os: macos-latest | |
| python: 311 | |
| platform_id: macosx_x86_64 | |
| dp_variant: cpu | |
| # win-64 | |
| - os: windows-2019 | |
| python: 311 | |
| platform_id: win_amd64 | |
| dp_variant: cpu | |
| # linux-aarch64 | |
| - os: ubuntu-latest | |
| python: 310 | |
| platform_id: manylinux_aarch64 | |
| dp_variant: cpu | |
| steps: | |
| - uses: actions/checkout@v3 | |
| with: | |
| submodules: true | |
| # https://github.com/pypa/setuptools_scm/issues/480 | |
| fetch-depth: 0 | |
| - uses: docker/setup-qemu-action@v2 | |
| name: Setup QEMU | |
| if: matrix.platform_id == 'manylinux_aarch64' | |
| - name: Build wheels | |
| uses: pypa/cibuildwheel@v2.12.3 | |
| env: | |
| CIBW_BUILD_VERBOSITY: 1 | |
| CIBW_ARCHS: all | |
| CIBW_BUILD: cp${{ 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@v3 | |
| with: | |
| submodules: true | |
| - uses: actions/setup-python@v4 | |
| name: Install Python | |
| with: | |
| python-version: '3.11' | |
| - 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 | |
| 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 | |
| with: | |
| user: __token__ | |
| password: ${{ secrets.pypi_password }} | |
| build_docker: | |
| # use the already built wheels to build docker | |
| needs: [build_wheels] | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/download-artifact@v3 | |
| with: | |
| name: artifact | |
| path: source/install/docker/dist | |
| - name: Log in to the Container registry | |
| uses: docker/login-action@f4ef78c080cd8ba55a85445d5b36e214a81df20a | |
| with: | |
| registry: ghcr.io | |
| username: ${{ github.actor }} | |
| password: ${{ secrets.GITHUB_TOKEN }} | |
| - name: Extract metadata (tags, labels) for Docker | |
| id: meta | |
| uses: docker/metadata-action@c4ee3adeed93b1fa6a762f209fb01608c1a22f1e | |
| with: | |
| images: ghcr.io/deepmodeling/deepmd-kit | |
| - name: Build and push Docker image | |
| uses: docker/build-push-action@3b5e8027fcad23fda98b2e3ac259d8d67585f671 | |
| 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) }} |