PLAMS 2024.104 #17
Workflow file for this run
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| name: Publish to PyPI | |
| on: | |
| release: | |
| types: [published] | |
| jobs: | |
| build-package: | |
| runs-on: ubuntu-latest | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.x' | |
| - name: Install dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install setuptools wheel twine | |
| - name: Build package | |
| run: python setup.py sdist bdist_wheel | |
| - name: Upload package artifact | |
| uses: actions/upload-artifact@v4 | |
| with: | |
| name: package | |
| path: dist | |
| test-package: | |
| needs: build-package | |
| strategy: | |
| matrix: | |
| os: [ ubuntu-latest, macos-latest, windows-latest ] | |
| python-version: [ "3.8", "3.9", "3.10", "3.11" ] | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - name: Checkout | |
| uses: actions/checkout@v4 | |
| - name: Set Up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Download package artifact | |
| uses: actions/download-artifact@v4 | |
| with: | |
| name: package | |
| path: dist | |
| - name: Install package and dependencies | |
| run: | | |
| python -m pip install --upgrade pip | |
| pip install dist/plams-*.whl | |
| pip install ".[chem_tools,results]" | |
| pip install pytest | |
| - name: Run Unit Tests | |
| run: | | |
| pytest unit_tests | |
| publish-package: | |
| runs-on: ubuntu-latest | |
| needs: test-package | |
| environment: release | |
| permissions: | |
| id-token: write | |
| steps: | |
| - uses: actions/checkout@v4 | |
| - name: Set up Python | |
| uses: actions/setup-python@v5 | |
| with: | |
| python-version: '3.x' | |
| - name: Download package artifact | |
| uses: actions/download-artifact@v4 | |
| with: | |
| name: package | |
| path: dist | |
| - name: Publish package to Test PyPI | |
| if: ${{ vars.PUBLISH_TO_TEST_PYPI == 'true' }} | |
| uses: pypa/gh-action-pypi-publish@release/v1 | |
| with: | |
| repository-url: https://test.pypi.org/legacy/ | |
| - name: Publish package to PyPI | |
| if: ${{ vars.PUBLISH_TO_PYPI == 'true' }} | |
| uses: pypa/gh-action-pypi-publish@release/v1 |