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Fix possible TEM build silent fail #472

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merged 2 commits into from
Aug 4, 2023
Merged

Fix possible TEM build silent fail #472

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a968c01
Fix silent fail when grep doesn't find a match
elcorto Jul 27, 2023
1c40d69
Cleanup in build_total_energy_module.sh
elcorto Aug 1, 2023
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9 changes: 3 additions & 6 deletions external_modules/total_energy_module/build_total_energy_module.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -6,7 +6,7 @@
# or
# $ F2PY=/usr/bin/f2py3 ./this.sh

set -euo pipefail
set -u

err(){
echo "error $@"
Expand All @@ -15,10 +15,7 @@ err(){

[ $# -eq 1 ] || err "Please provide exactly one argument (the path to the QE directory)" && root_dir=$1

echo $root_dir

# base dir of QE distribution
#root_dir=$(readlink -f ../)
echo "Using QE root dir: $root_dir"

pw_src_path=$root_dir/PW/src

Expand All @@ -39,7 +36,7 @@ project_lib_folders=" -L$root_dir/Modules -L$root_dir/KS_Solvers -L$root_dir/FFT
project_libs="-lqemod -lks_solvers -lqefft -lqela -lutil -ldftd3qe -lupf -ldevXlib -lmbd"
project_inc_folders="-I$root_dir/Modules -I$root_dir/FFTXlib/src -I$root_dir/LAXlib -I$root_dir/KS_Solvers -I$root_dir/UtilXlib -I$root_dir/upflib -I$root_dir/XClib -I$root_dir/external/devxlib/src -I$root_dir/external/mbd/src"

# default: systen blas,lapack and fftw, adapt as needed
# default: system blas,lapack and fftw, adapt as needed
linalg="-lblas -llapack"
fftw="-lfftw3"

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