{ stdenv, lib, fetchFromGitHub, gfortran, cmake, pkg-config, blas, lapack, }: stdenv.mkDerivation rec { pname = "greenx"; version = "2.2"; src = fetchFromGitHub { owner = "nomad-coe"; repo = "greenx"; rev = "v${version}"; hash = "sha256-otIs2Y79KoEL4ut8YQe7Y27LpmpId8h/X8B6GIg8l+E="; }; nativeBuildInputs = [ gfortran pkg-config cmake ]; buildInputs = [ blas lapack ]; # Uses a hacky python setup run by cmake, which is hard to get running doCheck = false; preCheck = '' export OMP_NUM_THREADS=2 ''; meta = with lib; { description = "Library for Green’s function based electronic structure theory calculations"; license = [ licenses.asl20 ]; homepage = "https://github.com/nomad-coe/greenX"; platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; }