pycdt errror

75 views
Skip to first unread message

张瑞

unread,
Nov 12, 2021, 7:43:35 AM11/12/21
to PyCDT forum
inout pycdt or pycdt generate_input it goes
ImportError: cannot import name 'Structure' from 'pymatgen' (unknown location)
I dont know where is wrong
this is the detial 

Traceback (most recent call last):
  File "/home/user230/apps/anaconda3/bin/pycdt", line 4, in <module>
    __import__('pkg_resources').run_script('pycdt==2.0.5', 'pycdt')
  File "/home/user230/apps/anaconda3/lib/python3.8/site-packages/pkg_resources/__init__.py", line 651, in run_script
    self.require(requires)[0].run_script(script_name, ns)
  File "/home/user230/apps/anaconda3/lib/python3.8/site-packages/pkg_resources/__init__.py", line 1448, in run_script
    exec(code, namespace, namespace)
  File "/home/user230/apps/anaconda3/lib/python3.8/site-packages/pycdt-2.0.5-py3.8.egg/EGG-INFO/scripts/pycdt", line 40, in <module>
    from pycdt.core.defects_analyzer import ComputedDefect
  File "/home/user230/apps/anaconda3/lib/python3.8/site-packages/pycdt-2.0.5-py3.8.egg/pycdt/core/defects_analyzer.py", line 24, in <module>
    from pycdt.utils.parse_calculations import SingleDefectParser
  File "/home/user230/apps/anaconda3/lib/python3.8/site-packages/pycdt-2.0.5-py3.8.egg/pycdt/utils/parse_calculations.py", line 32, in <module>
    from pycdt.core.chemical_potentials import MPChemPotAnalyzer
  File "/home/user230/apps/anaconda3/lib/python3.8/site-packages/pycdt-2.0.5-py3.8.egg/pycdt/core/chemical_potentials.py", line 18, in <module>
    from pymatgen import Structure, Element
ImportError: cannot import name 'Structure' from 'pymatgen' (unknown location)

PyCDT forum

unread,
Dec 16, 2021, 9:23:07 AM12/16/21
to PyCDT forum
Could you please check the pymatgen installation?
Reply all
Reply to author
Forward
0 new messages