Merge pull request #279858 from sheepforce/cp2k-update
cp2k: 2023.2 -> 2024.1
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commit
cded2b2ae5
1 changed files with 3 additions and 2 deletions
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@ -54,13 +54,13 @@ let
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in
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stdenv.mkDerivation rec {
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pname = "cp2k";
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version = "2023.2";
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version = "2024.1";
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src = fetchFromGitHub {
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owner = "cp2k";
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repo = "cp2k";
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rev = "v${version}";
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hash = "sha256-1TJorIjajWFO7i9vqSBDTAIukBdyvxbr5dargt4QB8M=";
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hash = "sha256-6PB6wjdTOa55dXV7QIsjxI77hhc95WFEjNePfupBUJQ=";
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fetchSubmodules = true;
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};
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@ -157,6 +157,7 @@ stdenv.mkDerivation rec {
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-I${lib.getDev libint}/include ${lib.optionalString enableElpa "$(pkg-config --variable=fcflags elpa)"} \
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-I${lib.getDev sirius}/include/sirius \
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-I${lib.getDev libxc}/include -I${lib.getDev libxsmm}/include \
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-I${lib.getDev hdf5-fortran}/include \
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-fallow-argument-mismatch
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LIBS = -lfftw3 -lfftw3_threads \
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-lscalapack -lblas -llapack \
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