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Add marda-extractors support for PW and CP input files #73

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merged 2 commits into from
Jan 12, 2024

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edan-bainglass
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Adding support to qe-tools to allow users of the MaRDA extractors system to parse PW and CP input files.

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codecov-commenter commented Jan 8, 2024

Codecov Report

Attention: 3 lines in your changes are missing coverage. Please review.

Comparison is base (c0e3c51) 89.89% compared to head (14f5516) 89.77%.

Files Patch % Lines
src/qe_tools/extractors/__init__.py 82.35% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main      #73      +/-   ##
==========================================
- Coverage   89.89%   89.77%   -0.12%     
==========================================
  Files          10       11       +1     
  Lines         465      489      +24     
==========================================
+ Hits          418      439      +21     
- Misses         47       50       +3     

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@edan-bainglass edan-bainglass requested a review from mbercx January 8, 2024 08:51
@edan-bainglass edan-bainglass force-pushed the marda-extractors-support branch 2 times, most recently from 14f5516 to ca7c39f Compare January 8, 2024 15:55
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Thanks @edan-bainglass . Just a few minor comments

tests/test_extractor.py Outdated Show resolved Hide resolved
src/qe_tools/parsers/_input_base.py Outdated Show resolved Hide resolved
src/qe_tools/extractors/__init__.py Outdated Show resolved Hide resolved
src/qe_tools/extractors/__init__.py Outdated Show resolved Hide resolved
src/qe_tools/extractors/__init__.py Outdated Show resolved Hide resolved
@edan-bainglass edan-bainglass force-pushed the marda-extractors-support branch from ca7c39f to 867f76f Compare January 12, 2024 09:54
@edan-bainglass edan-bainglass force-pushed the marda-extractors-support branch from 867f76f to efeec3f Compare January 12, 2024 10:01
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@sphuber sphuber merged commit 8c50b4c into aiidateam:main Jan 12, 2024
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3 participants