Add workflow for deploying GitHub pages - #8
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Pull Request Overview
This PR adds a GitHub Actions workflow to automatically deploy documentation to GitHub Pages from the main branch. The workflow builds Sphinx documentation and deploys it directly through GitHub Actions, eliminating the need for a separate pages source branch.
Key changes:
- New automated docs deployment workflow with build and deploy jobs
- Sphinx documentation building with HTML output
- GitHub Pages deployment using official Actions
Tip: Customize your code reviews with copilot-instructions.md. Create the file or learn how to get started.
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tvogels
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Oct 14, 2025
awvwgk
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Nov 7, 2025
- When creating the density fitting object the xc method must be a known libxc functional to determine whether it is a hybrid - Calling `predefined_auxbasis(..., xc="tpss")` before applying is not possible density fitting as this routine returns always None for non-hybrids - Fix this by temporarily setting `xc = "tpss"` before applying density fitting and revert to `xc = "custom"` to restore guard
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With this we can deploy GitHub pages directly from the actions pipeline, no need to have a separate branch with the source of the pages.