pyGSM requires xib, although it is installed and is not requested

[mit-eremin]

Reinstalled pyGSM (did not run it locally for over a year) and it fails to run. when I tell gsm -h it gives the following message. Also, same happens when I try to run an actually calculation specifying the package. xTB is installed in the environment and can be run.

(dft) Dmitrys-MacBook-Pro:~ eremin$ gsm -h ASE not installed, ASE-based calculators will not work Traceback (most recent call last): File "/opt/anaconda3/envs/dft/bin/gsm", line 33, in <module> sys.exit(load_entry_point('pyGSM==0.1', 'console_scripts', 'gsm')()) File "/opt/anaconda3/envs/dft/bin/gsm", line 25, in importlib_load_entry_point return next(matches).load() File "/opt/anaconda3/envs/dft/lib/python3.9/importlib/metadata.py", line 86, in load module = import_module(match.group('module')) File "/opt/anaconda3/envs/dft/lib/python3.9/importlib/__init__.py", line 127, in import_module return _bootstrap._gcd_import(name[level:], package, level) File "<frozen importlib._bootstrap>", line 1030, in _gcd_import File "<frozen importlib._bootstrap>", line 1007, in _find_and_load File "<frozen importlib._bootstrap>", line 986, in _find_and_load_unlocked File "<frozen importlib._bootstrap>", line 680, in _load_unlocked File "<frozen importlib._bootstrap_external>", line 850, in exec_module File "<frozen importlib._bootstrap>", line 228, in _call_with_frames_removed File "/opt/anaconda3/envs/dft/lib/python3.9/site-packages/pygsm/wrappers/main.py", line 18, in <module> from pygsm.level_of_theories.xtb_lot import xTB_lot File "/opt/anaconda3/envs/dft/lib/python3.9/site-packages/pygsm/level_of_theories/xtb_lot.py", line 7, in <module> from xtb.interface import Calculator ModuleNotFoundError: No module named 'xtb'

[ms860309]

Hi, you can try to install xtb-python, it might help.