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Add support for reading QCSchema JSON #24

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merged 1 commit into from
Jan 16, 2022
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@awvwgk awvwgk commented Jan 15, 2022

Adds an optional dependency on json-fortran for parsing the JSON file.

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codecov bot commented Jan 15, 2022

Codecov Report

Merging #24 (36a4b95) into main (e401fa3) will increase coverage by 0.77%.
The diff coverage is 62.56%.

❗ Current head 36a4b95 differs from pull request most recent head 967a5db. Consider uploading reports for the commit 967a5db to get more accurate results
Impacted file tree graph

@@            Coverage Diff             @@
##             main      #24      +/-   ##
==========================================
+ Coverage   62.69%   63.47%   +0.77%     
==========================================
  Files          50       51       +1     
  Lines        4297     4476     +179     
  Branches     1451     1502      +51     
==========================================
+ Hits         2694     2841     +147     
+ Misses        675      600      -75     
- Partials      928     1035     +107     
Impacted Files Coverage Δ
src/mctc/io/read/qcschema.F90 32.94% <32.94%> (ø)
test/test_write.f90 56.84% <54.54%> (-0.31%) ⬇️
src/mctc/version.F90 33.33% <60.00%> (ø)
test/test_read.f90 93.13% <96.10%> (+0.79%) ⬆️
src/mctc/io/read.f90 54.28% <100.00%> (+1.34%) ⬆️
test/testsuite_structure.f90 39.68% <0.00%> (+4.76%) ⬆️
src/mctc/io/write/qcschema.f90 25.00% <0.00%> (+25.00%) ⬆️

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@awvwgk awvwgk force-pushed the qcschema branch 4 times, most recently from 97c0780 to 37ece7d Compare January 16, 2022 11:24
- allow automatic detection of jsonfortran installations via CMake
- subproject fallback support for meson
@awvwgk awvwgk marked this pull request as ready for review January 16, 2022 11:53
@awvwgk awvwgk merged commit 8d63934 into grimme-lab:main Jan 16, 2022
@awvwgk awvwgk deleted the qcschema branch January 16, 2022 11:54
@awvwgk awvwgk mentioned this pull request Jan 16, 2022
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