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openmopac / mopac

Molecular Orbital PACkage
http://openmopac.net
GNU Lesser General Public License v3.0
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Avoid reading endian-dependent test files by regenerating them #79

Closed godotalgorithm closed 2 years ago

godotalgorithm commented 2 years ago

Fixes #78 by locally calculating a density restart file before attempting to read it in the Crambin test, so that there is no chance of endian incompatibility. The test is a lot slower, but this is negligible in the overall CI process.

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codecov-commenter commented 2 years ago

Codecov Report

Merging #79 (099d10c) into main (716421f) will increase coverage by 0.02%. The diff coverage is n/a.

@@            Coverage Diff             @@
##             main      #79      +/-   ##
==========================================
+ Coverage   68.23%   68.26%   +0.02%     
==========================================
  Files         330      330              
  Lines       71696    71696              
==========================================
+ Hits        48925    48946      +21     
+ Misses      22771    22750      -21
Impacted Files Coverage Δ
src/input/gettxt.F90 55.90% <0.00%> (+0.26%) :arrow_up:
src/SCF/iter.F90 88.87% <0.00%> (+0.33%) :arrow_up:
src/output/timout.F90 92.72% <0.00%> (+3.63%) :arrow_up:
src/MOZYME/diagg2.F90 76.88% <0.00%> (+8.60%) :arrow_up:

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