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dylanwal / bigsmiles Goto Github PK
View Code? Open in Web Editor NEWBigSMILES
License: BSD 3-Clause "New" or "Revised" License
BigSMILES
License: BSD 3-Clause "New" or "Revised" License
Thanks for now supporting older python versions. There's a ModuleNotFoundError
upon pip-installing the latest release. It does not occur when installing in editable mode. Here's the trace:
$ pip install bigsmiles
Collecting bigsmiles
Using cached bigsmiles-0.0.7-py3-none-any.whl (4.3 kB)
pythonInstalling collected packages: bigsmiles
Successfully installed bigsmiles-0.0.7
WARNING: You are using pip version 20.2.4; however, version 23.0.1 is available.
You should consider upgrading via the '/Users/jab/miniconda3/envs/gt4sd/bin/python3.8 -m pip install --upgrade pip' command.
$ python
Python 3.8.16 | packaged by conda-forge | (default, Feb 1 2023, 16:05:36)
[Clang 14.0.6 ] on darwin
Type "help", "copyright", "credits" or "license" for more information.
>>> import bigsmiles
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "/Users/jab/miniconda3/envs/gt4sd/lib/python3.8/site-packages/bigsmiles/__init__.py", line 6, in <module>
from bigsmiles.data_structures.bigsmiles import Atom, Bond, Branch, BondDescriptor, BondDescriptorAtom, \
ModuleNotFoundError: No module named 'bigsmiles.data_structures'
The problem is in your setup.cfg
Hi @dylanwal,
Interesting library, thanks for developing! What's the reason/blocker for not supporting older python versions than 3.10? Currently, not even 3.7 has reached EOL.
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