Add standalone RMSD/Rg/RMSF scripts and fix analysis interval/output … #4
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| name: Build and Publish Python Package | ||
|
Check failure on line 1 in .github/workflows/python-publish.yml
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| on: | ||
| release: | ||
| types: [published] | ||
| permissions: | ||
| contents: write | ||
| jobs: | ||
| build-and-publish: | ||
| runs-on: ubuntu-latest | ||
| steps: | ||
| - uses: actions/checkout@v4 | ||
| - name: Set up Python | ||
| uses: actions/setup-python@v5 | ||
| with: | ||
| python-version: "3.11" | ||
| - name: Install dependencies | ||
| run: | | ||
| python -m pip install --upgrade pip | ||
| pip install build | ||
| - name: Build package | ||
| run: python -m build | ||
| - name: Generate checksums | ||
| run: | | ||
| cd dist | ||
| sha256sum * > SHA256SUMS | ||
| - name: Upload artifacts to GitHub Release | ||
| uses: softprops/action-gh-release@v2 | ||
| with: | ||
| files: | | ||
| dist/* | ||
| - name: Publish to PyPI (optional) | ||
| if: ${{ secrets.PYPI_API_TOKEN != '' }} | ||
| uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29 | ||
| with: | ||
| user: __token__ | ||
| password: ${{ secrets.PYPI_API_TOKEN }} | ||
