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{ stdenv, lib, fetchFromGitHub, cmake, gfortran, python3 } :
stdenv.mkDerivation rec {
pname = "xcfun";
version = "2.1.1";
src = fetchFromGitHub {
owner = "dftlibs";
repo = pname;
rev = "v${version}";
sha256= "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid";
};
nativeBuildInputs = [
cmake
gfortran
];
propagatedBuildInputs = [ (python3.withPackages (p: with p; [ pybind11 ])) ];
cmakeFlags = [ "-DXCFUN_MAX_ORDER=3" ];
meta = with lib; {
description = "A library of exchange-correlation functionals with arbitrary-order derivatives";
homepage = "https://github.com/dftlibs/xcfun";
license = licenses.mpl20;
platforms = platforms.linux;
maintainers = [ maintainers.sheepforce ];
};
}
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