Can not import pymatgen modules

[thienbinh92]

Hi, I install pymatgen and your code on my MacBook air. Then I ran the create_interface.py in the example file. But it says:

ModuleNotFoundError: No module named 'pymatgen.util.coord_utils'
ImportError: cannot import name 'Structure' from 'pymatgen' (unknown location)

Can you tell me how to solve these problems?
Many thanks!

[mkhorton]

Hi @thienbinh92, MPInterfaces needs to be updated to support the latest pymatgen (v2022). Until then, you can install an older version of pymatgen (v2021.x).

[mkhorton]

Note I am not a maintainer/developer of MPInterfaces, I just saw your question so thought I would respond.

[mkhorton]

Alternatively, you can just change the import yourself, and it should work, e.g.

from pymatgen import Structure

should be changed to its canonical import:

from pymatgen.core.structure import Structure