Quantum-Accelerators / quacc

quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
https://quantum-accelerators.github.io/quacc/
BSD 3-Clause "New" or "Revised" License
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The API documentation for a given module has stray docstrings in it #2266

Closed Andrew-S-Rosen closed 1 week ago

Andrew-S-Rosen commented 1 week ago

How can we improve the documentation?

Check out https://quantum-accelerators.github.io/quacc/reference/quacc/recipes/vasp/core.html for instance. There is documentation for imported functions like job, flow, run_and_summarize, and run_and_summarize_opt that definitely don't belong there. Similarly, check out https://quantum-accelerators.github.io/quacc/reference/quacc/recipes/vasp/_base.html#quacc.recipes.vasp._base.Runner. Why is the documentation for Vasp in there?

The cause seems to be related to griffe==0.46.0, as I noted in https://github.com/mkdocstrings/python/discussions/169.

Andrew-S-Rosen commented 1 week ago

Will be fixed upstream.