openmopac / mopac

Molecular Orbital PACkage
http://openmopac.net
GNU Lesser General Public License v3.0
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Flang compiler support #108

Closed godotalgorithm closed 2 years ago

godotalgorithm commented 2 years ago

This pull request is working to fix completion of MOPAC with classic Flang. Flang is missing some non-standard Fortran intrinsics used by MOPAC, it uses C-style backslash characters by default, and it is failing numerous tests in the absence of these problems, mostly because of input file parsing problems. It is intended to resolve problems being discussed in #105, #106, and #107.

Status

codecov-commenter commented 2 years ago

Codecov Report

Merging #108 (37baa3c) into main (0788c28) will not change coverage. The diff coverage is 78.57%.

@@           Coverage Diff           @@
##             main     #108   +/-   ##
=======================================
  Coverage   68.27%   68.27%           
=======================================
  Files         330      330           
  Lines       71694    71694           
=======================================
  Hits        48946    48946           
  Misses      22748    22748           
Impacted Files Coverage Δ
src/PARAM/datinp.F90 0.00% <ø> (ø)
src/PARAM/parkey.F90 0.00% <ø> (ø)
src/PARAM/savgeo.F90 0.00% <ø> (ø)
src/input/wrtkey.F90 64.13% <ø> (ø)
src/run_param.F90 0.00% <0.00%> (ø)
src/input/getdat.F90 44.58% <66.66%> (ø)
src/integrals/mndod.F90 97.89% <100.00%> (ø)
src/models/calpar.F90 96.77% <100.00%> (ø)
src/output/to_screen.F90 36.77% <100.00%> (ø)
src/output/writmo.F90 69.73% <100.00%> (ø)
... and 1 more

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