anchor.diff:        owner = "eljost";
         repo = pname;
         rev = version;
  -      hash = "sha256-800Pm14eEq3Zc3f2xWy99w6eFKXa+/rorqZvC0F08Kc=";
  +      hash = "sha256-lgowUMa7lBXEp5ztwNa1MRAqDehCNTFMFugqZLHsdXc=";
       };
   
       format = "pyproject";
  
positive.code: # Runtime dependencies
  , runtimeShell
  , jmol, enableJmol ? true
  , multiwfn, enableMultiwfn ? false
  , xtb, enableXtb ? true
  , molcas, enableMolcas ? true
  , psi4, enablePsi4 ? true
  
negative.code: in
    buildPythonPackage rec {
      pname = "pysisyphus";
      version = "0.7.6.post1";
  
      nativeBuildInputs = [ makeWrapper setuptools-scm ];
  
  