anchor.diff:  # Runtime dependencies
   , runtimeShell
   , jmol, enableJmol ? true
  -, multiwfn, enableMultiwfn ? false
  +, multiwfn, enableMultiwfn ? true
   , xtb, enableXtb ? true
   , molcas, enableMolcas ? true
   , psi4, enablePsi4 ? true
  
positive.code:     checkInputs = [ openssh pytestCheckHook ];
  
      preCheck = ''
        export PYSISRC=${pysisrc}
        cat ${pysisrc}
        export PATH=$PATH:${binSearchPath}
  
negative.code:     '';
  
      passthru = { inherit
        pysisrc
        enableXtb
        enableJmol
        enableMultiwfn
  