ase.filters ModuleNotFoundError in example notebook

[kaijiz]

Email (Optional)

kaijiz@tamu.edu

Version

v0.3.0

Which OS(es) are you using?

• MacOS
• Windows
• Linux

What happened?

Hi, when I tried to use the notebook example, I got this error and I don't know how to fix it, could you help me?

Code snippet

No response

Log output

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[BowenD-UCB]

Thanks for the report.
We just added the install of ase gitlab to the example notebook.
The example notebook should work now, please check again.

[kaijiz]

hi, I still meet that problem, maybe it's because the version of ase is not right?

[BowenD-UCB]

If you're running this on Google colab, the ase gitlab version will be automatically installed by running the first block.
If you're running locally and don't have the latest ase version, please run
pip install git+https://gitlab.com/ase/ase

[kaijiz]

Thanks for your reply. I know this and I have done this. But still met this error. I think ase 3.22 no longer has "filters" module. I am trying to find which version has this module.

[BowenD-UCB]

ASE pypi hasn't been released for 2 years.
So you have to install from their gitlab source with
pip install git+https://gitlab.com/ase/ase

[kaijiz]

So could you run this Notebook "structure optimization" example without errors? I want to figure out it's my mistake or something wrong with the example.

https://colab.research.google.com/github/CederGroupHub/chgnet/blob/main/examples/basics.ipynb

[kaijiz]

oh i found how to fix it. you put "pip install git+https://gitlab.com/ase/ase" in the wrong place. should put in the "try" part instead of 'except' part.

[BowenD-UCB]

@kaijiz This is probably because you didn't restart the kernel in Google Colab.
Google Colab kermel should run the except part, because it needs to install chgnet

[thienbinh92]

I got the same issue. I install ase3.22.1. ase.filters module is not in the package anymore.