AttributeError: 'Gratoms' object has no attribute '_cell' (with the latest version of ase.3.22.0 and catakit.0.5.4)

Question

AttributeError: 'Gratoms' object has no attribute '_cell' (with the latest version of ase.3.22.0 and catakit.0.5.4)

xilingyi opened this issue 3 years ago · 7 comments

D:\Ana\lib\site-packages\catkit\gratoms.py in copy(self)
150 def copy(self):
151 """Return a copy."""
--> 152 atoms = self.class(cell=self._cell, pbc=self._pbc, info=self.info)
153
154 atoms.arrays = {}

AttributeError: 'Gratoms' object has no attribute '_cell'

I cannot run any code with this error. Ask for your help, thank you！

Answer 1 · 2021-11-19T03:22:57.000Z

Hello Xilingyi,
I faced the same issue. How did you fix it? I would appreciate your help.

Answer 2 · 2021-11-19T07:53:02.000Z

My version of ase has been upgraded to 3.22. Then, catkit can run. At 2021-11-19 11:23:08, "hanao2" ***@***.***> wrote: Hello Xilingyi, I faced the same issue. How did you fix it? I would appreciate your help. — You are receiving this because you authored the thread. Reply to this email directly, view it on GitHub, or unsubscribe. Triage notifications on the go with GitHub Mobile for iOS or Android.

Answer 3 · 2022-01-26T17:53:05.000Z

Hello,
I am also facing that issue. My ase is upgraded to 3.22.1 version.
Is there anything else that you have changed to fix this error?

Answer 4 · 2022-01-27T08:07:56.000Z

Maybe You can install the latest version of anaconda3, then install catkit through pip of anaconda prompt. At 2022-01-27 01:53:16, "melkoz" ***@***.***> wrote: Hello, I am also facing that issue. My ase is upgraded to 3.22.1 version. Is there anything else that you have changed to fix this error? — Reply to this email directly, view it on GitHub, or unsubscribe. Triage notifications on the go with GitHub Mobile for iOS or Android. You are receiving this because you authored the thread.Message ID: ***@***.***>

Answer 5 · 2022-01-31T04:17:39.000Z

@melkoz I had to downgrade ase to 3.17.0 to get catkit 0.5.4 to work. The last update of catkit was released in 2018, and this is when ase 3.17.0 was released. Anything before gets flagged by catkit and anything after returns the '_cell' error for me.

Answer 6 · 2022-01-31T21:47:19.000Z

Hi all,

Try to install CatKit directly from this github repo and not from 'pip install catkit'.

The ._cell issue was fixed a while back, but I don't have permission to update the pypi entry.

Answer 7 · 2024-04-22T12:57:50.000Z

Hi all,

Try to install CatKit directly from this github repo and not from 'pip install catkit'.

The ._cell issue was fixed a while back, but I don't have permission to update the pypi entry.

Hi, I installed by "pip install git+https://github.com/SUNCAT-Center/CatKit.git", I keep run into the issue of AttributeError: 'Gratoms' object has no attribute '_cell'. Is there anything else that you have changed to fix this error?