{ lib
, src
, bash
, stdenv
, writeText
, fetchFromGitHub
, libpng
, gzip
, fftw
, openblas
, mpiSupport ? false
, mpi ? null
, libnrm
, nrmSupport ? false
}:

let
  inherit (stdenv.lib) optional;
in

assert mpiSupport -> mpi != null;

stdenv.mkDerivation rec {
  # LAMMPS has weird versioning converted to ISO 8601 format
  version = "patch_2Aug2018";
  name = "lammps-${version}";

  lammps_packages = "asphere body class2 colloid compress coreshell dipole granular kspace manybody mc misc molecule opt peri qeq replica rigid shock snap srd user-reaxc";
  lammps_includes = "-DLAMMPS_EXCEPTIONS -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64";

  inherit src;

  #src = fetchFromGitHub {
    #owner = "lammps";
    #repo = "lammps";
    #rev = "${version}";
    #sha256 = "1ph9pr7s11wgmspmnhxa55bh1pq2cyl8iimfi62lbpbpl9pr1ilc";
  #};

  passthru = {
    inherit mpi;
  };

  buildInputs = [ fftw libpng openblas gzip bash ]
  ++ (optional mpiSupport [ mpi ]) ++ (optional nrmSupport libnrm);

  # Must do manual build due to LAMMPS requiring a seperate build for
  # the libraries and executable
  builder = writeText "builder.sh" ''
    source $stdenv/setup

    mkdir lammps
    cp -r $src/lib $src/src lammps
    chmod -R 755 lammps/src/
    cd lammps/src
    for pack in ${lammps_packages}; do make "yes-$pack" SHELL=$SHELL; done
    make mode=exe ${if mpiSupport then "mpi" else "serial"} SHELL=$SHELL LMP_INC="${lammps_includes}" FFT_PATH=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-lpng
    make mode=shlib ${if mpiSupport then "mpi" else "serial"} SHELL=$SHELL LMP_INC="${lammps_includes}" FFT_PATH=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-lpng

    mkdir -p $out/bin
    cp -v lmp_* $out/bin/

    mkdir -p $out/include
    cp -v *.h $out/include/

    mkdir -p $out/lib
    cp -v liblammps* $out/lib/
  '';
}