Loading pkgs/applications/science/chemistry/cp2k/default.nix +1 −1 Original line number Diff line number Diff line Loading @@ -73,7 +73,7 @@ in stdenv.mkDerivation rec { -ftree-vectorize -funroll-loops -msse2 \ -std=f2008 \ -fopenmp -ftree-vectorize -funroll-loops \ -I${libxc}/include -I${lib.getDev libxsmm}/include \ -I${lib.getDev libxc}/include -I${lib.getDev libxsmm}/include \ -I${libint}/include ${lib.optionalString enableElpa "$(pkg-config --variable=fcflags elpa)"} LIBS = -lfftw3 -lfftw3_threads \ -lscalapack -lblas -llapack \ Loading pkgs/development/libraries/libxc/default.nix +2 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,8 @@ stdenv.mkDerivation rec { --replace "PROPERTIES TIMEOUT 1" "PROPERTIES TIMEOUT 30" ''; outputs = [ "out" "dev" ]; nativeBuildInputs = [ perl cmake gfortran ]; preConfigure = '' Loading Loading
pkgs/applications/science/chemistry/cp2k/default.nix +1 −1 Original line number Diff line number Diff line Loading @@ -73,7 +73,7 @@ in stdenv.mkDerivation rec { -ftree-vectorize -funroll-loops -msse2 \ -std=f2008 \ -fopenmp -ftree-vectorize -funroll-loops \ -I${libxc}/include -I${lib.getDev libxsmm}/include \ -I${lib.getDev libxc}/include -I${lib.getDev libxsmm}/include \ -I${libint}/include ${lib.optionalString enableElpa "$(pkg-config --variable=fcflags elpa)"} LIBS = -lfftw3 -lfftw3_threads \ -lscalapack -lblas -llapack \ Loading
pkgs/development/libraries/libxc/default.nix +2 −0 Original line number Diff line number Diff line Loading @@ -18,6 +18,8 @@ stdenv.mkDerivation rec { --replace "PROPERTIES TIMEOUT 1" "PROPERTIES TIMEOUT 30" ''; outputs = [ "out" "dev" ]; nativeBuildInputs = [ perl cmake gfortran ]; preConfigure = '' Loading