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Unable to install scikit-nano in more recent versions of Python #18

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HemanthHaridas opened this issue Mar 19, 2024 · 0 comments
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@HemanthHaridas
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I tried installing scikit-nano using both the methods mentioned in the documentation. The pip install scikit-nano fails to find a compatible version of pymatgen and fails at installation of spicy and pymatgen after approximately 1 hour of running the setup. On the other hand, If I try downloading the repo and building it locally, I get the following error

>>> from sknano.generators import FullereneGenerator
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/home/hemanthharidas/scikit-nano/sknano/generators/__init__.py", line 6, in <module>
    from .base import *
  File "/home/hemanthharidas/scikit-nano/sknano/generators/base.py", line 24, in <module>
    from sknano.core.structures import StructureBase
  File "/home/hemanthharidas/scikit-nano/sknano/core/structures/__init__.py", line 10, in <module>
    from .fullerenes import *
  File "/home/hemanthharidas/scikit-nano/sknano/core/structures/fullerenes.py", line 98, in <module>
    class Fullerene(CrystalStructureBase):
  File "/home/hemanthharidas/scikit-nano/sknano/core/structures/fullerenes.py", line 123, in Fullerene
    _data = load_fullerene_data()
  File "/home/hemanthharidas/scikit-nano/sknano/core/structures/fullerenes.py", line 54, in load_fullerene_data
    Niso = int(Niso)
ValueError: invalid literal for int() with base 10: 'Ih'

when I try to import the package.

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