anchor.diff:  assert (!blas.isILP64) && (!lapack.isILP64);
   
   let
  -  version = "7.1.0";
  +  version = "8.1.0";
   
     cp2kVersion = "psmp";
     arch = "Linux-x86-64-gfortran";
  
positive.code:   enableParallelBuilding = true;
  
    postPatch = ''
      patchShebangs tools exts/dbcsr/tools/build_utils
    '';
  
    preConfigure = ''
      cat > arch/${arch}.${cp2kVersion} << EOF
      CC         = gcc
      CPP        =
      FC         = mpif90
      LD         = mpif90
  
negative.code: { stdenv, fetchFromGitHub, python3, gfortran, blas, lapack
  , fftw, libint2, libxc, mpi, gsl, scalapack, openssh, makeWrapper
  , libxsmm, spglib, which
  , optAVX ? false
  