{ stdenv, lib, fetchFromGitHub, gfortran, meson, ninja, pkg-config, blas, lapack, mctc-lib, mstore, toml-f, multicharge, dftd4, simple-dftd3, }: assert !blas.isILP64 && !lapack.isILP64; stdenv.mkDerivation rec { pname = "tblite"; version = "0.4.0"; src = fetchFromGitHub { owner = "tblite"; repo = pname; rev = "v${version}"; hash = "sha256-KV2fxB+SF4LilN/87YCvxUt4wsY4YyIV4tqnn+3/0oI="; }; nativeBuildInputs = [ gfortran meson ninja pkg-config ]; buildInputs = [ blas lapack mctc-lib mstore toml-f multicharge dftd4 simple-dftd3 ]; outputs = [ "out" "dev" ]; doCheck = true; preCheck = '' export OMP_NUM_THREADS=2 ''; meta = with lib; { description = "Light-weight tight-binding framework"; mainProgram = "tblite"; license = with licenses; [ gpl3Plus lgpl3Plus ]; homepage = "https://github.com/tblite/tblite"; platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; }