spglib 2.5.0

[flokno]

Currently throws error:

Report symmetry information from spglib:
/Users/flokno/local/tutorials/2024_symmetry-preserving-simulations/venv/lib/python3.9/site-packages/spglib/spglib.py:115: DeprecationWarning: dict interface (SpglibDataset['wyckoffs']) is deprecated.Use attribute interface ({self.__class__.__name__}.{key}) instead
  warnings.warn(
╭─────────────────────────────── Traceback (most recent call last) ────────────────────────────────╮
│ /Users/flokno/local/tutorials/2024_symmetry-preserving-simulations/venv/lib/python3.9/site-packa │
│ ges/tdeptools/scripts/ase_geometry_info.py:136 in main                                           │
│                                                                                                  │
│   133 │                                                                                          │
│   134 │   atoms = read(file, format=format)                                                      │
│   135 │                                                                                          │
│ ❱ 136 │   inform(atoms, symprec=symprec, max_atoms=max_atoms, verbose=verbose)                   │
│   137                                                                                            │
│   138                                                                                            │
│   139 if __name__ == "__main__":                                                                 │
│                                                                                                  │
│ /Users/flokno/local/tutorials/2024_symmetry-preserving-simulations/venv/lib/python3.9/site-packa │
│ ges/tdeptools/scripts/ase_geometry_info.py:94 in inform                                          │
│                                                                                                  │
│    91 │   if symprec is not None and all(atoms.pbc):                                             │
│    92 │   │   echo()                                                                             │
│    93 │   │   echo("Report symmetry information from spglib:")                                   │
│ ❱  94 │   │   sds = get_symmetry_dataset(atoms, symprec=symprec)                                 │
│    95 │   │                                                                                      │
│    96 │   │   echo(f"  Spacegroup:          {sds.international} ({sds.number})")                 │
│    97 │   │   if sds.number > 1:                                                                 │
│                                                                                                  │
│ /Users/flokno/local/tutorials/2024_symmetry-preserving-simulations/venv/lib/python3.9/site-packa │
│ ges/tdeptools/scripts/ase_geometry_info.py:34 in get_symmetry_dataset                            │
│                                                                                                  │
│    31 │   dataset = spg.get_symmetry_dataset(to_spglib_cell(atoms), symprec=symprec)             │
│    32 │                                                                                          │
│    33 │   uwcks, count = np.unique(dataset["wyckoffs"], return_counts=True)                      │
│ ❱  34 │   dataset["wyckoffs_unique"] = [(w, c) for (w, c) in zip(uwcks, count)]                  │
│    35 │                                                                                          │
│    36 │   ats, count = np.unique(dataset["equivalent_atoms"], return_counts=True)                │
│    37 │   dataset["equivalent_atoms_unique"] = [(a, c) for (a, c) in zip(ats, count)]            │
╰──────────────────────────────────────────────────────────────────────────────────────────────────╯
TypeError: 'SpglibDataset' object does not support item assignmen