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Fortran revise#569

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LecrisUT merged 3 commits intospglib:developfrom
krefson:fortran-revise
Apr 24, 2025
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Fortran revise#569
LecrisUT merged 3 commits intospglib:developfrom
krefson:fortran-revise

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@krefson
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@krefson krefson commented Apr 23, 2025

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Awesome stuff. Could you fix the pre-commit issues?

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krefson commented Apr 23, 2025

The pre-commit messages refer to files I have not touched. Please advise what is wrong here.

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They have probably changed clang-format behaviour in the ubuntu-latest image. I will make a PR to fix that.

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codecov bot commented Apr 23, 2025

Codecov Report

Attention: Patch coverage is 35.29412% with 33 lines in your changes missing coverage. Please review.

Project coverage is 74.09%. Comparing base (a9ef4e9) to head (6287a16).
Report is 18 commits behind head on develop.

Files with missing lines Patch % Lines
fortran/spglib_f08.F90 35.29% 33 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #569      +/-   ##
===========================================
- Coverage    74.32%   74.09%   -0.24%     
===========================================
  Files           25       25              
  Lines         8071     8049      -22     
  Branches      1693     1675      -18     
===========================================
- Hits          5999     5964      -35     
- Misses        1562     1577      +15     
+ Partials       510      508       -2     
Flag Coverage Δ
c_api 68.67% <ø> (ø)
fortran_api 50.96% <85.71%> (+0.27%) ⬆️
python_api 66.96% <ø> (ø)
unit_tests 11.71% <0.00%> (+0.03%) ⬆️

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Could you add a line in the ChangeLog.md about exposing spg_get_spacegroup_type_from_symmetry?

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krefson commented Apr 23, 2025

I have added an entry to the Changelog.

The code coverage report is mysterious, and I think wrong. It reports that my new variant of c_to_f_string is not being executed but it absolutely must be to run the test suite. (I get 100% pass). I have a hypothesis that the function is now so compact that it is being inlined, and the character copy operations have been optimised away entirely. It's not clear how code coverage test would cope with that,.

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The code coverage report is mysterious, and I think wrong.

Yeah, you can ignore it, it is random fluctuation, didn't look into what setting needs to be added to avoid the error report, or disable it altogether. We mostly want an overview from it.

@krefson krefson closed this Apr 23, 2025
@krefson krefson reopened this Apr 23, 2025
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krefson commented Apr 24, 2025

What is the next step? Is there a further process to get this merged?

@LecrisUT LecrisUT enabled auto-merge (squash) April 24, 2025 07:18
@LecrisUT LecrisUT merged commit ff295fa into spglib:develop Apr 24, 2025
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2 participants