{ 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 ]; }; }