anchor.diff:  { stdenv, fetchurl, cmake, gfortran, perl
   , openblas, hdf5-cpp, python3, texLive
  -, makeWrapper
  +, armadillo
  +, makeWrapper, fetchFromGitHub
   } :
   
   let
     version = "master-o180529-0800";
     python = python3.withPackages (ps : with ps; [ six pyparsing ]);
  +
  +  srcLibwfa = fetchFromGitHub {
  +    owner = "libwfa";
  +    repo = "libwfa";
  +    rev = "efd3d5bafd403f945e3ea5bee17d43e150ef78b2";
  +    sha256 = "0qzs8s0pjrda7icws3f1a55rklfw7b94468ym5zsgp86ikjf2rlz";
  +  };
  +
   
   in stdenv.mkDerivation {
     name = "openmolcas-${version}";
  
positive.code: 
       $out/bin/pymolcas $inp.inp > $inp.out
  
       grep "Happy landing" $inp.status
  
       grep "Total SCF energy"  $inp.out | grep 74.880174
    '';
  
    doInstallCheck = true;
  
    enableParallelBuilding = true;
  
    meta = with stdenv.lib; {
      description = "Quantum chemistry software package";
      homepage = https://gitlab.com/Molcas/OpenMolcas;
      license = with licenses; lgpl21;
      platforms = with platforms; linux;
    };
  }
  
  
negative.code: 
    installCheckPhase = ''
       #
       # Minimal check if installation runs properly
       #
  
       export MOLCAS_WORKDIR=./
  