wolverton-research-group / qmpy

A suite of computational materials science tools.
https://oqmd.org
MIT License
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cannot run oqmd (django ImportError) #121

Open LuciusV opened 3 years ago

LuciusV commented 3 years ago

Hello! I installed qmpy by pip install qmpy for python3.7 environment oqmd command gives error:

Traceback (most recent call last): File "/home/youjin/virtualenvs/django/bin/oqmd", line 10, in <module> from django.db.models import get_app, get_models ImportError: cannot import name 'get_app' from 'django.db.models' (/home/youjin/virtualenvs/django/lib/python3.7/site-packages/django/db/models/__init__.py)

(also, oqmd still had some python2-stype print...)

tachyontraveler commented 3 years ago

Thanks for reporting the issue. This happened because we released the pip package before the files in the bin directory were updated to Py3. It was a mistake. The update for the files was done soon after, but I'm yet to update the pip package. Will do it as soon as possible. Until then, you can use qmpy by cloning the github repo and installing it inside the virtual environment.

If curious, the commit that corrected these issues is accessible here.

Current version of the file bin/oqmd is provided here

tachyontraveler commented 3 years ago

I'll keep this issue open until a new pip package is released with relevant fixes