Missing charge module in conda package
cescgina opened this issue · comments
After installing the package using conda, the charge module is missing. Full traceback running the main module as shown in the documentation:
Traceback (most recent call last):
File "/home/jgilaber/anaconda3/envs/offpele_env/lib/python3.7/runpy.py", line 193, in _run_module_as_main
"__main__", mod_spec)
File "/home/jgilaber/anaconda3/envs/offpele_env/lib/python3.7/runpy.py", line 85, in _run_code
exec(code, run_globals)
File "/home/jgilaber/anaconda3/envs/offpele_env/lib/python3.7/site-packages/offpele/main.py", line 277, in <module>
main()
File "/home/jgilaber/anaconda3/envs/offpele_env/lib/python3.7/site-packages/offpele/main.py", line 273, in main
args.output, args.with_solvent, args.as_datalocal)
File "/home/jgilaber/anaconda3/envs/offpele_env/lib/python3.7/site-packages/offpele/main.py", line 209, in run_offpele
from offpele.topology import Molecule
File "/home/jgilaber/anaconda3/envs/offpele_env/lib/python3.7/site-packages/offpele/topology/__init__.py", line 2, in <module>
from .molecule import Atom, Molecule
File "/home/jgilaber/anaconda3/envs/offpele_env/lib/python3.7/site-packages/offpele/topology/molecule.py", line 13, in <module>
from offpele.charge import (Am1bccCalculator, GasteigerCalculator,
ModuleNotFoundError: No module named 'offpele.charge'
Version is 0.3.1, I checked in the installation folder and the charge subfolder was not installed