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{ stdenv
, lib
, fetchFromGitHub
, cmake
, gfortran
, blas
, lapack
, mctc-lib
, mstore
, multicharge
}:
assert !blas.isILP64 && !lapack.isILP64;
stdenv.mkDerivation rec {
pname = "dftd4";
version = "3.6.0";
src = fetchFromGitHub {
owner = "dftd4";
repo = pname;
rev = "v${version}";
hash = "sha256-VIV9953hx0MZupOARdH+P1h7JtZeJmTlqtO8si+lwdU=";
};
nativeBuildInputs = [ cmake gfortran ];
buildInputs = [ blas lapack mctc-lib mstore multicharge ];
outputs = [ "out" "dev" ];
# Fix the Pkg-Config files for doubled store paths
postPatch = ''
substituteInPlace config/template.pc \
--replace "\''${prefix}/" ""
'';
cmakeFlags = [
"-DBUILD_SHARED_LIBS=${if stdenv.hostPlatform.isStatic then "OFF" else "ON"}"
];
doCheck = true;
preCheck = ''
export OMP_NUM_THREADS=2
'';
meta = with lib; {
description = "Generally Applicable Atomic-Charge Dependent London Dispersion Correction";
license = with licenses; [ lgpl3Plus gpl3Plus ];
homepage = "https://github.com/grimme-lab/dftd4";
platforms = platforms.linux;
maintainers = [ maintainers.sheepforce ];
};
}
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