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@marvinfriede marvinfriede commented Mar 24, 2025

Compiling with meson (gcc) and debug settings breaks tests with:

At line 253 of file ../src/tblite/xtb/singlepoint.f90
Fortran runtime error: Allocatable actual argument 'icache' is not allocated

Debug flags:

meson setup build --buildtype=debug --libdir=lib -Dfortran_args="-fcheck=all -g -fbacktrace -fno-omit-frame-pointer -ffpe-trap=invalid,zero,overflow"

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codecov bot commented Mar 24, 2025

Codecov Report

Attention: Patch coverage is 55.55556% with 4 lines in your changes missing coverage. Please review.

Project coverage is 72.25%. Comparing base (ccc00f2) to head (b707782).

Files with missing lines Patch % Lines
src/tblite/scf/iterator.f90 50.00% 0 Missing and 4 partials ⚠️
Additional details and impacted files
@@           Coverage Diff           @@
##             main     #238   +/-   ##
=======================================
  Coverage   72.25%   72.25%           
=======================================
  Files         149      149           
  Lines       18706    18706           
  Branches     6155     6155           
=======================================
  Hits        13516    13516           
  Misses       2237     2237           
  Partials     2953     2953           

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@lukaswittmann lukaswittmann left a comment

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LGTM!

@marvinfriede marvinfriede merged commit d597263 into main Mar 24, 2025
61 of 62 checks passed
@marvinfriede marvinfriede deleted the clean-up branch March 24, 2025 20:02
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2 participants