cp2k: 2023.2 -> 2024.1

cp2k: fix hdf5 includes
This commit is contained in:
Phillip Seeber
2024-01-09 16:44:06 +01:00
parent 250bf92b66
commit 24d7e572bf
@@ -54,13 +54,13 @@ let
in
stdenv.mkDerivation rec {
pname = "cp2k";
version = "2023.2";
version = "2024.1";
src = fetchFromGitHub {
owner = "cp2k";
repo = "cp2k";
rev = "v${version}";
hash = "sha256-1TJorIjajWFO7i9vqSBDTAIukBdyvxbr5dargt4QB8M=";
hash = "sha256-6PB6wjdTOa55dXV7QIsjxI77hhc95WFEjNePfupBUJQ=";
fetchSubmodules = true;
};
@@ -157,6 +157,7 @@ stdenv.mkDerivation rec {
-I${lib.getDev libint}/include ${lib.optionalString enableElpa "$(pkg-config --variable=fcflags elpa)"} \
-I${lib.getDev sirius}/include/sirius \
-I${lib.getDev libxc}/include -I${lib.getDev libxsmm}/include \
-I${lib.getDev hdf5-fortran}/include \
-fallow-argument-mismatch
LIBS = -lfftw3 -lfftw3_threads \
-lscalapack -lblas -llapack \