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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

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

…onal dependecies set and install in CI, use the spga.get_pearson_symbol method
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@mkhorton

@shyuep shyuep enabled auto-merge (squash) March 22, 2025 15:38
@shyuep shyuep merged commit 27406b7 into materialsproject:master Mar 22, 2025
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@CompRhys CompRhys deleted the protostructure branch March 26, 2025 00:43
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2 participants