{ stdenv, lib, fetchFromGitHub, gfortran, meson, ninja, pkg-config, python3, blas, lapack, mctc-lib, mstore, multicharge, }: assert !blas.isILP64 && !lapack.isILP64; stdenv.mkDerivation rec { pname = "dftd4"; version = "3.6.0"; src = fetchFromGitHub { owner = "dftd4"; repo = pname; rev = "v${version}"; hash = "sha256-VIV9953hx0MZupOARdH+P1h7JtZeJmTlqtO8si+lwdU="; }; patches = [ # Make sure fortran headers are installed directly in /include ./fortran-module-dir.patch ]; nativeBuildInputs = [ gfortran meson ninja pkg-config python3 ]; buildInputs = [ blas lapack mctc-lib mstore multicharge ]; outputs = [ "out" "dev" ]; doCheck = true; postPatch = '' patchShebangs --build \ config/install-mod.py \ app/tester.py ''; preCheck = '' export OMP_NUM_THREADS=2 ''; meta = with lib; { description = "Generally Applicable Atomic-Charge Dependent London Dispersion Correction"; mainProgram = "dftd4"; license = with licenses; [ lgpl3Plus gpl3Plus ]; homepage = "https://github.com/grimme-lab/dftd4"; platforms = platforms.linux; maintainers = [ maintainers.sheepforce ]; }; }