anchor.diff:          formchk_cmd = "${gaussian}/bin/formchk";
           unfchk_cmd = "${gaussian}/bin/unfchk";
         };
  -      text = with lib.lists; lib.generators.toINI {} (builtins.listToAttrs ([
  -        { name = "openmolcas"; value.cmd = "${openmolcas}/bin/pymolcas"; }
  -        { name = "psi4"; value.cmd = "${psi4Wrapper}"; }
  -        { name = "wfoverlap"; value.cmd = "${wfoverlap}/bin/wfoverlap.x"; }
  -        { name = "multiwfn"; value.cmd = "${multiwfn}/bin/Multiwfn"; }
  -        { name = "jmol"; value.cmd = "${jmol}/bin/jmol"; }
  -        { name = "xtb"; value.cmd = "${xtb}/bin/xtb"; }
  -      ] ++ optional (gaussian != null) { name = "gaussian16"; value = gaussian16Conf; }
  +      text = with lib.lists; lib.generators.toINI {} (builtins.listToAttrs ([ ]
  +        ++ optional (openmolcas != null) { name = "openmolcas"; value.cmd = "${openmolcas}/bin/pymolcas"; }
  +        ++ optional (psi4 != null) { name = "psi4"; value.cmd = "${psi4Wrapper}"; }
  +        ++ optional (wfoverlap != null) { name = "wfoverlap"; value.cmd = "${wfoverlap}/bin/wfoverlap.x"; }
  +        ++ optional (multiwfn != null) { name = "multiwfn"; value.cmd = "${multiwfn}/bin/Multiwfn"; }
  +        ++ optional (jmol != null) { name = "jmol"; value.cmd = "${jmol}/bin/jmol"; }
  +        ++ optional (xtb != null) { name = "xtb"; value.cmd = "${xtb}/bin/xtb"; }
  +        ++ optional (gaussian != null) { name = "gaussian16"; value = gaussian16Conf; }
           ++ optional (orca != null) { name = "orca"; value.cmd = "${orca}/bin/orca"; }
         ));
       in
  
positive.code:  autograd, dask, distributed, h5py, jinja2, matplotlib, numpy, natsort, pytest, pyyaml, rmsd, scipy,
   sympy, scikitlearn, qcengine, ase, xtb-python, openbabel-bindings,
   # Runtime dependencies
   runtimeShell, jmol, multiwfn, xtb, openmolcas, pyscf, psi4, wfoverlap, nwchem, orca ? null ,
   turbomole ? null, gaussian ? null, gamess-us ? null, cfour ? null, molpro ? null,
   # Test dependencies
   openssh,
  
negative.code:       scikitlearn
        qcengine
        ase
        openbabel-bindings
        pytest  # Also required for normal execution
        openssh
      ] # Syscalls
        ++ lists.optional (xtb-python != null) xtb-python
        ++ lists.optional (jmol != null) jmol
        ++ lists.optional (multiwfn != null) multiwfn
        ++ lists.optional (xtb != null) xtb
        ++ lists.optional (openmolcas != null) openmolcas
        ++ lists.optional (pyscf != null) pyscf
        ++ lists.optional (psi4 != null) psi4
        ++ lists.optional (wfoverlap != null) wfoverlap
        ++ lists.optional (nwchem != null) nwchem
        ++ lists.optional (orca != null) orca
        ++ lists.optional (turbomole != null) turbomole
        ++ lists.optional (gaussian != null) gaussian
        ++ lists.optional (cfour != null) cfour
  