From f1b44ffc1c06ae6aa99a501c59d25f58f316f79b Mon Sep 17 00:00:00 2001 From: Markus Kowalewski Date: Sat, 30 Sep 2023 16:15:37 +0200 Subject: [PATCH] nwchem: remove test jobs from output The tests are not needed to run the program. Removing the tests saves about 220 MB. --- pkgs/applications/science/chemistry/nwchem/default.nix | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/pkgs/applications/science/chemistry/nwchem/default.nix b/pkgs/applications/science/chemistry/nwchem/default.nix index 2a17be9f8a92..d5c97aa17f92 100644 --- a/pkgs/applications/science/chemistry/nwchem/default.nix +++ b/pkgs/applications/science/chemistry/nwchem/default.nix @@ -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