{ stdenv, lib, fetchFromGitHub, gfortran, cmake, pkg-config, armadillo, blas, lapack, }: stdenv.mkDerivation rec { pname = "OpenOrbitalOptimizer"; version = "0.1.0"; src = fetchFromGitHub { owner = "susilethola"; repo = "openorbitaloptimizer"; rev = "v${version}"; hash = "sha256-otIs2Y79KoEL4ut8YQe7Y27LpmpId8h/X8B6GIg8l+E="; }; nativeBuildInputs = [ pkg-config cmake gfortran ]; buildInputs = [ armadillo blas lapack ]; outputs = [ "out" "dev" ]; # Uses a hacky python setup run by cmake, which is hard to get running doCheck = false; meta = with lib; { description = "Common orbital optimisation algorithms for quantum chemistry"; license = [ licenses.mpl20 ]; homepage = "https://github.com/susilehtola/OpenOrbitalOptimizer"; platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; }