problems with py4vasp

[xiliang_lian]

Hello,

Today, I tried to reinstall py4vasp which I have been using for quite a long time. It worked well before but this time, after the installation, when I tried to import the module, I got the following error and I can't locate the source of the problem.

AttributeError Traceback (most recent call last)
/Users/xiliang/Downloads/vasp/code/validation.ipynb Cell 3 in <cell line: 1>()
----> 1 from py4vasp import Calculation

File /opt/anaconda3/envs/py4vasp/lib/python3.10/site-packages/py4vasp/__init__.py:3, in <module>
1 # Copyright © VASP Software GmbH,
2 # Licensed under the Apache License 2.0 (http://www.apache.org/licenses/LICENSE-2.0)
----> 3 from .calculation import Calculation
4 from py4vasp._third_party.interactive import set_error_handling
6 __version__ = "0.4.0"

File /opt/anaconda3/envs/py4vasp/lib/python3.10/site-packages/py4vasp/calculation.py:16, in <module>
3 """Provide the tools to manage VASP calculations.
4
5 This is the main user interface if you want to simply investigate the results of VASP
(...)
13 >>> calc.structure.print() # to print the structure in a POSCAR format
14 """
15 import inspect
---> 16 import py4vasp.data
17 import py4vasp.exceptions as exception
18 import py4vasp.control

File /opt/anaconda3/envs/py4vasp/lib/python3.10/site-packages/py4vasp/data/__init__.py:33, in <module>
...
52 if self._ready:
53 return
---> 54 super()._ipython_display_(**kwargs)

AttributeError: 'super' object has no attribute '_ipython_display_'

I create a separate conda environment as has been suggested by you. It does not seem to be a problem with my way to install py4vasp. The problem occurs when I tried to use the import command in Visual Studio code, while everything goes well when I tried to import py4vasp from the terminal.

Can you please kindly help with this? Thanks a lot in advance.

Best,
Xiliang

[xiliang_lian]

Hello,

For whoever comes to this problem in the future, I have found out the issue. It is actually a problem with nglview, which py4vasp depends on. The newest version of nglview has this problem, therefore leading to the failure of py4vasp I reported in my last post. The solution is to downgrade nglview to version 7. You may refer to this link (https://github.com/nglviewer/nglview/issues/1032)

Best

[andreas.singraber]

Hello!

Thank you very much for sharing the solution you found for this problem !

Best regards,
Andreas Singraber