anchor.diff:    "OpenMolcas requires OpenBLAS or MKL.";
   
   let
  -  version = "21.10-2021-10-11";
  -  gitLabRev = "117305462bac932106e8e3a0347238b768bcb058";
  +  version = "22.02-2022-02-10";
  +  gitLabRev = "f8df69cf87b241a15ebc82d72a8f9a031a385dd4";
   
     python = python3.withPackages (ps : with ps; [ six pyparsing ]);
   
  
positive.code:     "-DWFA=ON"
      "-DCTEST=ON"
      "-DCHEMPS2=ON" "-DCHEMPS2_DIR=${chemps2}/bin"
    ] ++ lib.lists.optionals (blas-i8.passthru.implementation == "openblas") [
      "-DOPENBLASROOT=${blas-i8.passthru.provider.dev}" "-DLINALG=OpenBLAS"
    ] ++ lib.lists.optionals (blas-i8.passthru.implementation == "mkl") [
  
negative.code: { lib, stdenv, pkgs, fetchFromGitLab, fetchpatch, cmake, gfortran, perl
  , blas-i8, hdf5-full, python3, texlive
  , armadillo, makeWrapper, fetchFromGitHub, chemps2, libwfa, libxc
  } :
  
  assert
  