{ lib, stdenv, fetchFromGitLab, cmake, gfortran, perl }: stdenv.mkDerivation rec { pname = "libxc"; version = "6.1.0"; src = fetchFromGitLab { owner = "libxc"; repo = "libxc"; rev = version; hash = "sha256-PqKqZbL9Y7lKu7tKo+DfAhoEeFSsYWEcwiFX41VhRIs="; }; nativeBuildInputs = [ perl cmake gfortran ]; preConfigure = '' patchShebangs ./ ''; cmakeFlags = [ "-DENABLE_FORTRAN=ON" "-DBUILD_SHARED_LIBS=ON" # Force compilation of higher derivatives "-DDISABLE_VXC=0" "-DDISABLE_FXC=0" "-DDISABLE_KXC=0" "-DDISABLE_LXC=0" ]; doCheck = true; meta = with lib; { description = "Library of exchange-correlation functionals for density-functional theory"; homepage = "https://www.tddft.org/programs/Libxc/"; license = licenses.mpl20; platforms = platforms.unix; maintainers = with maintainers; [ markuskowa ]; }; }