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Add SpglibDataset and SpglibMagneticDataset and dataclass #490

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Merged
merged 3 commits into from
Jun 10, 2024
Merged

Add SpglibDataset and SpglibMagneticDataset and dataclass #490

merged 3 commits into from
Jun 10, 2024

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lan496
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@lan496 lan496 commented May 12, 2024

Introduces dataclasses.dataclass for get_symmetry_dataset and get_magnetic_symmetry_dataset in Python API.

@lan496 lan496 mentioned this pull request May 12, 2024
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codecov bot commented May 12, 2024 •
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Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 83.90%. Comparing base (0030689) to head (6fa652e).
Report is 54 commits behind head on develop.

Additional details and impacted files 
@@           Coverage Diff            @@
##           develop     #490   +/-   ##
========================================
  Coverage    83.90%   83.90%           
========================================
  Files           25       25           
  Lines         8184     8184           
  Branches      1701     1701           
========================================
  Hits          6867     6867           
  Misses        1317     1317
Flag Coverage Δ
c_api 74.78% <ø> (ø)
fortran_api 56.19% <ø> (ø)
python_api 80.35% <ø> (ø)
unit_tests 13.47% <ø> (ø)

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@lan496 lan496 marked this pull request as ready for review May 12, 2024 03:17
@lan496 lan496 requested a review from LecrisUT May 12, 2024 03:17
@lan496 lan496 mentioned this pull request Jun 7, 2024
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LecrisUT approved these changes Jun 8, 2024
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Sorry, I had this pending review, but forgot to hit submit review. Only 1 minor note

@lan496 lan496 requested a review from LecrisUT June 8, 2024 23:26
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lan496 commented Jun 9, 2024 •
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@LecrisUT These required test failed somehow. Can you check it?
https://github.com/spglib/spglib/pull/490/checks?check_run_id=25990624567

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LecrisUT commented Jun 9, 2024

Fedora 40 was released so F38 was retired. This changes every 6 months unfortunately

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lan496 commented Jun 10, 2024

I see. I've updated the branch protection rule.

@lan496 lan496 merged commit 9d86d26 into spglib:develop Jun 10, 2024
@lan496 lan496 deleted the dataclass-spglib-dataset branch June 10, 2024 09:58
@LecrisUT LecrisUT linked an issue Jul 2, 2024 that may be closed by this pull request
dataclass output for Python API #491
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@LecrisUT LecrisUT added this to the 2.5 milestone Jul 2, 2024
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dataclass output for Python API
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