nwchem: remove test jobs from output

The tests are not needed to run the program.
Removing the tests saves about 220 MB.
This commit is contained in:
Markus Kowalewski 2023-09-30 16:15:37 +02:00
parent ff75cea66d
commit f1b44ffc1c

View file

@ -169,7 +169,6 @@ stdenv.mkDerivation rec {
cp -r $NWCHEM_TOP/src/data $out/share/nwchem/
cp -r $NWCHEM_TOP/src/basis/libraries $out/share/nwchem/data
cp -r $NWCHEM_TOP/src/nwpw/libraryps $out/share/nwchem/data
cp -r $NWCHEM_TOP/QA $out/share/nwchem
wrapProgram $out/bin/nwchem \
--set-default NWCHEM_BASIS_LIBRARY $out/share/nwchem/data/libraries/
@ -196,7 +195,7 @@ stdenv.mkDerivation rec {
runHook preInstallCheck
# run a simple water test
mpirun -np 2 $out/bin/nwchem $out/share/nwchem/QA/tests/h2o/h2o.nw > h2o.out
mpirun -np 2 $out/bin/nwchem $NWCHEM_TOP/QA/tests/h2o/h2o.nw > h2o.out
grep "Total SCF energy" h2o.out | grep 76.010538
runHook postInstallCheck