Loading pkgs/applications/science/chemistry/cp2k/default.nix +8 −0 Original line number Diff line number Diff line Loading @@ -136,6 +136,8 @@ stdenv.mkDerivation rec { ''; configurePhase = '' runHook preConfigure cat > arch/${arch}.${cp2kVersion} << EOF CC = mpicc CPP = Loading Loading @@ -196,6 +198,8 @@ stdenv.mkDerivation rec { LDFLAGS = \$(FCFLAGS) \$(LIBS) include ${plumed}/lib/plumed/src/lib/Plumed.inc EOF runHook postConfigure ''; nativeCheckInputs = [ Loading @@ -213,6 +217,8 @@ stdenv.mkDerivation rec { ''; installPhase = '' runHook preInstall mkdir -p $out/bin $out/share/cp2k cp exe/${arch}/* $out/bin Loading @@ -228,6 +234,8 @@ stdenv.mkDerivation rec { --set OMP_NUM_THREADS 1 cp -r data/* $out/share/cp2k runHook postInstall ''; passthru = { inherit mpi; }; Loading Loading
pkgs/applications/science/chemistry/cp2k/default.nix +8 −0 Original line number Diff line number Diff line Loading @@ -136,6 +136,8 @@ stdenv.mkDerivation rec { ''; configurePhase = '' runHook preConfigure cat > arch/${arch}.${cp2kVersion} << EOF CC = mpicc CPP = Loading Loading @@ -196,6 +198,8 @@ stdenv.mkDerivation rec { LDFLAGS = \$(FCFLAGS) \$(LIBS) include ${plumed}/lib/plumed/src/lib/Plumed.inc EOF runHook postConfigure ''; nativeCheckInputs = [ Loading @@ -213,6 +217,8 @@ stdenv.mkDerivation rec { ''; installPhase = '' runHook preInstall mkdir -p $out/bin $out/share/cp2k cp exe/${arch}/* $out/bin Loading @@ -228,6 +234,8 @@ stdenv.mkDerivation rec { --set OMP_NUM_THREADS 1 cp -r data/* $out/share/cp2k runHook postInstall ''; passthru = { inherit mpi; }; Loading