qdng: init at 1.0.0

{

  lib,

  stdenv,

  fetchFromGitHub,

  autoreconfHook,

  bison,

  flex,

  gfortran,

  blas,

  bzip2,

  fftw,

  lapack,

  libxml2,

  protobuf_21,

  zlib,

}:

stdenv.mkDerivation (finalAttrs: {

  pname = "qdng";

  version = "1.0.0";

  src = fetchFromGitHub {

    owner = "quantum-dynamics-ng";

    repo = "QDng";

    tag = "v${finalAttrs.version}";

    hash = "sha256-T59Bb014KSUOOFTFjPOrWmbF6GqIqAIyrb3Xe5TwU88=";

  };

  configureFlags = [

    "--enable-openmp"

    "--disable-gccopt"

  ];

  enableParallelBuilding = true;

  nativeBuildInputs = [

    autoreconfHook

    bison

    flex

    gfortran

  ];

  buildInputs = [

    blas

    bzip2

    fftw

    lapack

    libxml2

    protobuf_21

    zlib

  ];

  meta = {

    description = "Molecular wavepacket dynamics package";

    homepage = "https://github.com/quantum-dynamics-ng/QDng";

    platforms = lib.platforms.linux;

    maintainers = [ lib.maintainers.markuskowa ];

    license = lib.licenses.gpl3Only;

  };

})