anchor.diff:  
       qdng = callPackage ./qdng { };
   
  -    libfabric = callPackage ./libfabric { };
  -
  -    libint = callPackage ./libint { };
  -
  -    libxc = pkgs.libxc;
  -
  -    mkl = callPackage ./mkl { };
  +    ### HPC libs and Tools
   
       ibsim = callPackage ./ibsim { };
   
       impi = callPackage ./impi { };
   
       infiniband-diags = callPackage ./infiniband-diags { };
  +
  +    libfabric = callPackage ./libfabric { };
  +
  +    libint = callPackage ./libint { };
  +
  +    mkl = callPackage ./mkl { };
   
       openshmem = callPackage ./openshmem {};
   
  
positive.code: 
    pkgs-qc = with pkgs; {
  
      cp2k = callPackage ./cp2k { };
  
      molden = pkgs.molden;
  
negative.code: 
      gamess-mkl = callPackage ./gamess { mathlib=callPackage ./mkl { } ; useMkl = true; };
  
      ga = callPackage ./ga { ssh=openssh; };
  
      libxc = pkgs.libxc;
  
      nwchem = callPackage ./nwchem { };
  
      octopus = pkgs.octopus;
  
      openmolcas = callPackage ./openmolcas {
        texLive = texlive.combine { inherit (texlive) scheme-basic epsf cm-super; };
  