anchor.diff:      sha256 = "09a5a0zbkganvx9g70vcjbr0i77a9kh095vgh0k0rm0lmkay1cd2";
     };
   
  -  nativeBuildInputs = [ makeWrapper which ];
  -  buildInputs = [ gfortran blas liblapack fftw python ];
  +  nativeBuildInputs = [ makeWrapper which gfortran ];
  +  buildInputs = [ blas liblapack fftw python ];
   
     patches = [
       # tests fail to create directories
  
positive.code:     patchShebangs wfoverlap/scripts
    '';
  
    binSearchPath = with lib; strings.makeSearchPath "bin" ([ molcas bagel gnuplot ]
      ++ lists.optional (orca != null) orca
      ++ lists.optional (gaussian != null) gaussian
      ++ lists.optional (turbomole != null) turbomole
      ++ lists.optional (molpro != null) molpro
    );
  
    installPhase = ''
      mkdir -p $out/bin $out/share/sharc/tests
  
      cd source
  
negative.code:                      ${lib.optionalString (turbomole != null) "--set-default TURBOMOLE ${turbomole}/bin"} \
                       ${lib.optionalString (gaussian != null) "--set-default GAUSSIAN ${gaussian}/bin"}
      done
  
      runHook preInstall
    '';
  
    postFixup = ''
  