Migrate spglib to new SpglibDataset format with version 2.5.0#3923
Merged
janosh merged 10 commits intomaterialsproject:masterfrom Jul 16, 2024
Merged
Migrate spglib to new SpglibDataset format with version 2.5.0#3923janosh merged 10 commits intomaterialsproject:masterfrom
spglib to new SpglibDataset format with version 2.5.0#3923janosh merged 10 commits intomaterialsproject:masterfrom
Conversation
DanielYang59
commented
Jul 16, 2024
spglib to new data formatspglib to new SpglibDataset format with version 2.5.0
Contributor
Author
|
@kaueltzen Is everything looking good to you? |
janosh
approved these changes
Jul 16, 2024
Member
janosh
left a comment
There was a problem hiding this comment.
thanks a lot @DanielYang59! 👍 those deprecation warnings were spamming my logs
Contributor
Author
|
Thanks for reviewing. @janosh For some reason all tests in windows are failing? Doesn't looks like owing to this PR and still need to find out why I guess |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
2 participants
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Summary
spglibto new data format as pointed out by @kaueltzen, to fix Adapt pymatgen.symmetry.analyzer to new spglib (>=2.5.0) output data format #3922SpacegroupAnalyzerandPointGroupAnalyzer