Update pyproject.toml by adding Python 3.12 (#120) #15
Workflow file for this run
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| # This workflow is adapted from: | |
| # https://packaging.python.org/en/latest/guides/publishing-package-distribution-releases-using-github-actions-ci-cd-workflows/ | |
| # Changes made: | |
| # - Removed emoticons | |
| # - Updated some actions to more recent versions | |
| # - Customized for the qc-AtomDB repository | |
| name: PyPI Release | |
| on: | |
| push: | |
| tags: | |
| # Trigger on version tags (e.g., v1.0.0) | |
| - "v[0-9].[0-9].[0-9]*" | |
| - "[0-9].[0-9].[0-9]*" | |
| # Trigger on pre-release tags (e.g., v1.0.0-alpha.1) | |
| - "v[0-9].[0-9].[0-9]*-*" | |
| - "[0-9].[0-9].[0-9]*-*" | |
| env: | |
| # The name of the package to be published to PyPI and TestPyPI. | |
| PYPI_NAME: qc-AtomDB | |
| jobs: | |
| build: | |
| name: Build distribution | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| with: | |
| fetch-depth: 0 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: "3.11" | |
| - name: Install pypa/build | |
| run: | | |
| # install from github | |
| # TODO: change to pypi once the release of qc-grid is made | |
| python -m pip install git+https://github.com/theochem/grid.git@master | |
| python -m pip install build | |
| - name: Build package | |
| run: >- | |
| python -m build | |
| - name: Store the distribution packages | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: python-package-distributions | |
| path: dist/ | |
| publish-to-pypi: | |
| name: Publish Python distribution to PyPI | |
| # only publish to PyPI on tag pushes | |
| if: startsWith(github.ref, 'refs/tags/') | |
| needs: | |
| - build | |
| runs-on: ubuntu-latest | |
| environment: | |
| name: PyPI-Release | |
| url: https://pypi.org/project/${{ env.PYPI_NAME }} | |
| permissions: | |
| id-token: write | |
| steps: | |
| - name: Download all the dists | |
| uses: actions/download-artifact@v4 | |
| with: | |
| name: python-package-distributions | |
| path: dist/ | |
| - name: Publish distribution to PyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| env: | |
| TWINE_USERNAME: "__token__" | |
| TWINE_PASSWORD: ${{ secrets.PYPI_TOKEN }} | |
| github-release: | |
| name: Sign the Python distribution with Sigstore and upload them to GitHub Release | |
| needs: | |
| - publish-to-pypi | |
| runs-on: ubuntu-latest | |
| permissions: | |
| contents: write | |
| id-token: write | |
| steps: | |
| - name: Download all the dists | |
| uses: actions/download-artifact@v4 | |
| with: | |
| name: python-package-distributions | |
| path: dist/ | |
| - name: Sign the dists with Sigstore | |
| uses: sigstore/[email protected] | |
| with: | |
| inputs: >- | |
| ./dist/*.tar.gz | |
| ./dist/*.whl | |
| - name: Create GitHub Release | |
| env: | |
| GITHUB_TOKEN: ${{ github.token }} | |
| run: >- | |
| gh release create | |
| '${{ github.ref_name }}' | |
| --repo '${{ github.repository }}' | |
| --notes "" | |
| - name: Upload artifact signatures to GitHub Release | |
| env: | |
| GITHUB_TOKEN: ${{ github.token }} | |
| run: >- | |
| gh release upload | |
| '${{ github.ref_name }}' dist/** | |
| --repo '${{ github.repository }}' | |
| publish-to-testpypi: | |
| name: Publish Python distribution to TestPyPI | |
| # if: ${{ github.ref == 'refs/heads/master' && github.repository_owner == 'theochem' }} | |
| needs: | |
| - build | |
| runs-on: ubuntu-latest | |
| environment: | |
| name: TestPyPI | |
| url: https://test.pypi.org/project/${{ env.PYPI_NAME }} | |
| permissions: | |
| id-token: write | |
| steps: | |
| - name: Download all the dists | |
| uses: actions/download-artifact@v4 | |
| with: | |
| name: python-package-distributions | |
| path: dist/ | |
| - name: Publish distribution to TestPyPI | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| repository-url: https://test.pypi.org/legacy/ | |
| env: | |
| TWINE_USERNAME: "__token__" | |
| TWINE_PASSWORD: ${{ secrets.TEST_PYPI_TOKEN }} |