{ stdenv, lib, fetchFromGitHub, gfortran, meson, ninja, pkg-config, mctc-lib, mstore, toml-f, blas, }: assert !blas.isILP64; stdenv.mkDerivation rec { pname = "simple-dftd3"; version = "1.2.1"; src = fetchFromGitHub { owner = "dftd3"; repo = pname; tag = "v${version}"; hash = "sha256-c4xctcMcPQ70ippqbwtinygmnZ5en6ZGF5/v0ZWtzys="; }; nativeBuildInputs = [ gfortran meson ninja pkg-config ]; buildInputs = [ mctc-lib mstore toml-f blas ]; outputs = [ "out" "dev" ]; doCheck = true; preCheck = '' export OMP_NUM_THREADS=2 ''; meta = with lib; { description = "Reimplementation of the DFT-D3 program"; mainProgram = "s-dftd3"; license = with licenses; [ lgpl3Only gpl3Only ]; homepage = "https://github.com/dftd3/simple-dftd3"; platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; }