BUG: Error in running bandstructure workflow

[nhew1994]

Describe the bug
I'm going through the atomate2 bandstructure tutorial: https://materialsproject.github.io/atomate2/user/running-workflows.html.

After I submit my job, I get the following error:
2023-11-19 21:50:11,122 INFO Started executing jobs locally
2023-11-19 21:50:11,126 INFO Starting job - relax 1 (eaba6cfb-64af-45f2-b9a0-616a23bf98cd)
2023-11-19 21:50:33,584 INFO Finished job - relax 1 (eaba6cfb-64af-45f2-b9a0-616a23bf98cd)
2023-11-19 21:50:33,585 WARNING Response.stored_data is not supported with local manager.
2023-11-19 21:50:33,588 INFO Starting job - relax 2 (772ed0c5-8a6d-4ee8-8ae5-d74da60dd2ce)
2023-11-19 21:50:33,698 INFO relax 2 failed with exception:
Traceback (most recent call last):
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/jobflow/managers/local.py", line 102, in run_job
response = job.run(store=store)
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/jobflow/core/job.py", line 572, in run
self.resolve_args(store=store)
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/jobflow/core/job.py", line 678, in resolve_args
resolved_args = find_and_resolve_references(
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/jobflow/core/reference.py", line 458, in find_and_resolve_references
resolved_references = resolve_references(
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/jobflow/core/reference.py", line 353, in resolve_references
resolved_references[ref] = ref.resolve(
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/jobflow/core/reference.py", line 178, in resolve
data = MontyDecoder().process_decoded(data)
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/monty/json.py", line 484, in process_decoded
return cls(data)
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/pydantic/main.py", line 164, in init
pydantic_self.pydantic_validator.validate_python(data, self_instance=pydantic_self)
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/monty/json.py", line 263, in validate_monty_v2
return cls._validate_monty(__input_value)
File "/storage/home/njh5724/.conda/envs/atomate2/lib/python3.9/site-packages/monty/json.py", line 246, in _validate_monty
new_obj = cls(__input_value)
TypeError: init() got an unexpected keyword argument 'ALGO'

2023-11-19 21:50:33,705 INFO Finished executing jobs locally

I am using monty==2023.11.3
Let me know if you need any more information or if you know how to fix this problem.

[utf]

Thanks for the bug report. There seems to be an incompatibility with the latest emmet and monty versions.

@janosh are you able to look into this?

[utf]

@nhew1994 could you try updating emmet?

[nhew1994]

Thanks @utf for the reply. Do you mean emmet-core? When I do pip install atomate2, there is no emmet, only emmet-core. I'm trying different versions of emmet-core at the moment.

[utf]

Yep, I meant emmet-core. Let me know if a more recent version of emmet fixes it for you.

[nhew1994]

I've tried emmet-core>=0.72.18 with monty==2023.11.3. Still getting the python traceback. The first structure optimization folder will run, but the other folders are empty. Which versions are you using?

[gpetretto]

Following the discussion in the other issue I checked and this is not related to the change I made in monty. It is due to a change in pydantic 2.5. I have found the source of the issue. I will open a PR on monty to address that.

[utf]

Thanks very much for checking @gpetretto

[nhew1994]

Thanks @gpetretto and @utf. Do I just wait for the pull request on monty: https://github.com/materialsvirtuallab/monty, then reinstall monty?

[lihaojie87]

I have the same problem, is there any solution?

[gpetretto]

The solution at the moment should be to install pydantic 2.4.2.
As far as I could test this materialsvirtuallab/monty#597 should fix the problem, but I am afraid that, until that PR is merged, downgrading pydantic is the only option.

[utf]

This is now fixed in version 0.1.14