Open shanilpanara opened 2 years ago
Thanks for this - I cannot recreate this issue. Can you run the following commands and screenshot the results here:
$ python --version
$ python -m pip --version
$ pip --version
$ python -m pip list | grep starpolymers
$ pip list | grep starpolymers
Found the same issue on the pip released version of starpolymers
.
The results from @debeshmandal's commands are for me as follows:
$ python --version
Python 3.9.7
$ python -m pip --version
pip 21.2.4 from C:\Users\jakub\anaconda3\envs\neuralode\lib\site-packages\pip (python 3.9)
$ pip --version
pip 21.2.4 from C:\Users\jakub\anaconda3\envs\neuralode\lib\site-packages\pip (python 3.9)
$ python -m pip list | grep starpolymers
starpolymers 2.1.0
$ pip list | grep starpolymers
starpolymers 2.1.0
Commenting out line 39 in starpolymers/genrators/system.py
def __init__(self, ...):
...
self.add_molecules(molecules)
self.assert_neutral()
#self.fix_overlap(threshold)
@jakublala
You have the wrong version, it's an old version, the current version should be 2.1.0+21.g0ea17ee.dirty
Try reinstalling from source, if that doesn't work I will deploy a new version 2.2.0
to PyPI
On the
dev-new-shapes
branch, the following errors are recieved:Tested with versions: 3.7.7 3.8.11 and 3.9.9: