anchor.diff:    ];
   
     buildInputs = [
  -    (blas-i8.passthru.provider)
  +    blas-i8.passthru.provider
       hdf5-full
       python
       armadillo
  
positive.code: 
    meta = with lib; {
      description = "Quantum chemistry software package";
      homepage = https://gitlab.com/Molcas/OpenMolcas;
      maintainers = [ maintainers.markuskowa ];
      license = licenses.lgpl21;
      platforms = platforms.linux;
  
negative.code: 
       $out/bin/pymolcas $inp.inp > $inp.out
  
       echo "Check for successful run:"
       grep "Happy landing" $inp.status
       echo "Check for correct energy:"
       grep "Total SCF energy" $inp.out | grep 74.880174
  