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Refactor VASP and QChem Enums #1098

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esoteric-ephemera
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@esoteric-ephemera esoteric-ephemera commented Sep 13, 2024

Changes how VASP and QChem enums are generated:

  • generate.py scripts replaced by a central dev_scripts/generate_enums.py file
  • Standardize yaml config file names as calc_types.yaml
  • Added basic enum tests

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codecov-commenter commented Sep 13, 2024

Codecov Report

Attention: Patch coverage is 93.84615% with 4 lines in your changes missing coverage. Please review.

Project coverage is 87.51%. Comparing base (a6c86e0) to head (ea650c7).

Files with missing lines Patch % Lines
emmet-core/emmet/core/qchem/calc_types/__init__.py 0.00% 2 Missing ⚠️
emmet-core/emmet/core/vasp/calc_types/__init__.py 0.00% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1098      +/-   ##
==========================================
- Coverage   90.18%   87.51%   -2.68%     
==========================================
  Files         147      149       +2     
  Lines       14174    11150    -3024     
==========================================
- Hits        12783     9758    -3025     
- Misses       1391     1392       +1     

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@tsmathis
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closing in favor of #1095

@tsmathis tsmathis closed this Sep 18, 2024
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3 participants