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Switch backend for JSON-support#85

Merged
awvwgk merged 7 commits intogrimme-lab:mainfrom
awvwgk:json
May 3, 2025
Merged

Switch backend for JSON-support#85
awvwgk merged 7 commits intogrimme-lab:mainfrom
awvwgk:json

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@awvwgk awvwgk commented May 2, 2025

  • remove json-fortran due to executable stack requirement
  • use jonquil reader which is based on TOML Fortran

Closes #61
Fixes dftd4/dftd4#289
Fixes grimme-lab/xtb-python#127

awvwgk added 3 commits May 2, 2025 12:24
- remove json-fortran due to executable stack requirement
- use jonquil reader which is based on TOML Fortran
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codecov bot commented May 2, 2025

Codecov Report

Attention: Patch coverage is 83.46957% with 182 lines in your changes missing coverage. Please review.

Project coverage is 70.77%. Comparing base (77f65c6) to head (78d0017).
Report is 19 commits behind head on main.

Files with missing lines Patch % Lines
test/test_read_qcschema.f90 87.23% 0 Missing and 71 partials ⚠️
src/mctc/io/read/qcschema.F90 59.37% 2 Missing and 37 partials ⚠️
src/mctc/io/read/cjson.F90 64.81% 8 Missing and 30 partials ⚠️
test/test_read_cjson.f90 90.02% 0 Missing and 34 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main      #85      +/-   ##
==========================================
+ Coverage   69.79%   70.77%   +0.98%     
==========================================
  Files          64       79      +15     
  Lines        8618    10924    +2306     
  Branches     2579     3365     +786     
==========================================
+ Hits         6015     7732    +1717     
+ Misses        782      760      -22     
- Partials     1821     2432     +611     

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@awvwgk awvwgk merged commit 587e296 into grimme-lab:main May 3, 2025
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@awvwgk awvwgk deleted the json branch May 3, 2025 20:48
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