Treatment for spglib v2.5.0 DeprecationWarning #105
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@giovannipizzi, probably you are super busy. Do you know anybody who can review this PR? |
giovannipizzi
approved these changes
Sep 27, 2024
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Thanks @atztogo for taking care of this, and for pinging me! (I don't look at all GitHub notifications, just too many...)
Changes look fine and tests pass, so I'm merging this. I didn't check if more changes are needed, but I guess you checked there are no other instances?
Also, I imagine you need a pypi release, right? Let me know and I will prepare one
I hope so.
Yes, but I can take care of it if you want. Quite a few people rely on seekpath via pypi and conda forge. |
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From spglib v2.5.0,
spglib.get_symmetry_dataset()andspglib.get_spacegroup_type()return kinds of dataclass, and dot access instead of dict key is recommended. Therefore, the dict access emits DeprecationWarning.https://spglib.readthedocs.io/en/stable/api/python-api/spglib/spglib.html#spglib.SpglibDataset
https://spglib.readthedocs.io/en/stable/api/python-api/spglib/spglib.html#spglib.SpaceGroupType
This PR is to prevent it. I added a function
get_dot_access_dataset, which mimics dot access for those dictionary for spglib < v2.5.0.