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Add protostructure and prototype functions from aviary #4329

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@CompRhys CompRhys commented Mar 17, 2025

Summary

Adds functions to get protostructure labels from spglib, moyo and aflow-sym. This avoids users who wish to use this functionality from needing to download aviary to use these functions.

TODO

should pyxtal be added to the "symmetry" deps?
not sure why the blame for the original prototype matcher is lost given file was renamed and then functions were added.

Checklist

  • Google format doc strings added. Check with ruff.
  • Type annotations included. Check with mypy.
  • Tests added for new features/fixes.
  • If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

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Closes #4326

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