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test: enable C API test if WITH_API is true#173

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TyBalduf merged 1 commit intodftd4:mainfrom
e-kwsm:test-C-API
Oct 12, 2022
Merged

test: enable C API test if WITH_API is true#173
TyBalduf merged 1 commit intodftd4:mainfrom
e-kwsm:test-C-API

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@e-kwsm e-kwsm commented Sep 19, 2022

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codecov bot commented Sep 19, 2022 •
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Codecov Report

Merging #173 (2c06a94) into main (9ff1dc3) will not change coverage.
The diff coverage is n/a.

@@           Coverage Diff           @@
##             main     #173   +/-   ##
=======================================
  Coverage   60.12%   60.12%           
=======================================
  Files          44       44           
  Lines        3130     3130           
  Branches     1019     1019           
=======================================
  Hits         1882     1882           
  Misses        667      667           
  Partials      581      581

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e-kwsm
e-kwsm commented Sep 20, 2022
View reviewed changes
CMakeLists.txt
DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}/${module-dir}"
)
if(WITH_API)
enable_language("C")
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@e-kwsm e-kwsm Sep 20, 2022

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#172 is still required since FindBLAS is called beforehand.

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awvwgk commented Oct 7, 2022

Looks like the linking of one of the subprojects is broken at the moment

 [262/288] Linking Fortran executable subprojects/multicharge/app/multicharge
FAILED: subprojects/multicharge/app/multicharge 
: && /opt/intel/oneapi/compiler/2022.2.0/linux/bin/intel64/ifort  -O2 -g subprojects/multicharge/app/CMakeFiles/multicharge-exe.dir/main.f90.o -o subprojects/multicharge/app/multicharge  subprojects/multicharge/libmulticharge.a  subprojects/mctc-lib/libmctc-lib.a  /usr/lib/x86_64-linux-gnu/libblas.so  /opt/intel/oneapi/compiler/2022.2.0/linux/compiler/lib/intel64_lin/libiomp5.so && :
ld: subprojects/multicharge/libmulticharge.a(lapack.F90.o): in function `multicharge_lapack_mp_mchrg_ssytrf_':
/home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:144: undefined reference to `ssytrf_'
ld: /home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:151: undefined reference to `ssytrf_'
ld: subprojects/multicharge/libmulticharge.a(lapack.F90.o): in function `multicharge_lapack_mp_mchrg_dsytrf_':
/home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:183: undefined reference to `dsytrf_'
ld: /home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:190: undefined reference to `dsytrf_'
ld: subprojects/multicharge/libmulticharge.a(lapack.F90.o): in function `multicharge_lapack_mp_mchrg_ssytrs_':
/home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:221: undefined reference to `ssytrs_'
ld: subprojects/multicharge/libmulticharge.a(lapack.F90.o): in function `multicharge_lapack_mp_mchrg_dsytrs_':
/home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:247: undefined reference to `dsytrs_'
ld: subprojects/multicharge/libmulticharge.a(lapack.F90.o): in function `multicharge_lapack_mp_mchrg_ssytri_':
/home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:322: undefined reference to `ssytri_'
ld: subprojects/multicharge/libmulticharge.a(lapack.F90.o): in function `multicharge_lapack_mp_mchrg_dsytri_':
/home/runner/work/dftd4/dftd4/subprojects/multicharge/src/multicharge/lapack.F90:353: undefined reference to `dsytri_'

There should be a /usr/lib/x86_64-linux-gnu/liblapack.so in the link line better the MKL libraries since we are working with Intel.

@e-kwsm e-kwsm marked this pull request as draft October 11, 2022 00:35
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e-kwsm commented Oct 11, 2022

#172 is required to properly link against MKL library.

@e-kwsm e-kwsm marked this pull request as ready for review October 11, 2022 15:44
@TyBalduf TyBalduf merged commit 5bb34b8 into dftd4:main Oct 12, 2022
@e-kwsm e-kwsm deleted the test-C-API branch October 12, 2022 22:20
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@e-kwsm @awvwgk @TyBalduf