anchor.diff:        owner = "eljost";
         repo = pname;
         rev = version;
  -      sha256 = "1zw2f083x8z3sqyqfs1mak69db017kiclbk2pgjhcqml45737fnh";
  +      sha256 = "wO/D7ySH0g/qN2aqzOF2Be3aw3U248dvuIEaTAkFYC4=";
       };
   
       # Requires at least PySCF
  
positive.code: { fetchPypi, fetchFromGitHub, buildPythonPackage, lib, writeTextFile, writeScript, makeWrapper,
   # Python dependencies
   autograd, dask, distributed, h5py, jinja2, matplotlib, numpy, natsort, pytest, pyyaml, rmsd, scipy,
   sympy, scikitlearn, qcengine, ase, xtb-python, openbabel-bindings,
   # Runtime dependencies
   runtimeShell, jmol ? null, multiwfn ? null, xtb ? null, openmolcas ? null,
   pyscf ? null, psi4 ? null, wfoverlap ? null, nwchem ? null, orca ? null,
  
negative.code: in
    buildPythonPackage rec {
      pname = "pysisyphus";
      version = "0.7.2";
  
      nativeBuildInputs = [ makeWrapper ];
  
  