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fix: Fortran api #421

Merged
merged 3 commits into from
Feb 7, 2024
Merged

fix: Fortran api #421

merged 3 commits into from
Feb 7, 2024

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LecrisUT
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@LecrisUT LecrisUT commented Feb 5, 2024

  • Fix an issue with spglib_f08.F90 not having the spglib_version Fortran module
  • Add target Spglib::fortran_include and Spglib::fortran_mod so that Spglib::fortran is an alias is to either of these depending on if the .mod file is importable or not

TODO:

  • Changelog

This PR should be added for a Spglib v2.3.1

Closes #415, #416

@dmt4 thanks for opening those issues, I am quite glad how this design turned out, and I will present this at an upcoming meeting. Do you want to take it for a spin?

@LecrisUT LecrisUT added the bug label Feb 5, 2024
@LecrisUT LecrisUT mentioned this pull request Feb 5, 2024
@LecrisUT LecrisUT added this to the 2.3 milestone Feb 5, 2024
@LecrisUT LecrisUT mentioned this pull request Feb 5, 2024
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dmt4 commented Feb 5, 2024

This new spglib_f08.F90 works ok in my setup. Thanks!

LecrisUT added a commit to LecrisUT/spglib that referenced this pull request Feb 6, 2024
Signed-off-by: Cristian Le <cristian.le@mpsd.mpg.de>
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codecov bot commented Feb 6, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Comparison is base (a648e41) 83.71% compared to head (057cbbc) 83.71%.

Additional details and impacted files
@@           Coverage Diff            @@
##           develop     #421   +/-   ##
========================================
  Coverage    83.71%   83.71%           
========================================
  Files           24       24           
  Lines         8205     8205           
========================================
  Hits          6869     6869           
  Misses        1336     1336           
Flag Coverage Δ
c_api 77.50% <ø> (ø)
fortran_api 56.33% <ø> (ø)
python_api 79.94% <ø> (ø)
unit_tests 1.36% <ø> (ø)

Flags with carried forward coverage won't be shown. Click here to find out more.

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Signed-off-by: Cristian Le <cristian.le@mpsd.mpg.de>
Signed-off-by: Cristian Le <cristian.le@mpsd.mpg.de>
Signed-off-by: Cristian Le <cristian.le@mpsd.mpg.de>
@LecrisUT
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LecrisUT commented Feb 7, 2024

/packit build

@LecrisUT LecrisUT merged commit 383d1ff into spglib:develop Feb 7, 2024
36 of 40 checks passed
@LecrisUT LecrisUT deleted the fix/Fortran-api branch February 7, 2024 17:50
LecrisUT added a commit that referenced this pull request Feb 7, 2024
Signed-off-by: Cristian Le <cristian.le@mpsd.mpg.de>
@LecrisUT LecrisUT linked an issue Feb 8, 2024 that may be closed by this pull request
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Successfully merging this pull request may close these issues.

Automatically construct the Fortran mod files spglib_f08.F90 seems broken in v2.3.0
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