Update Matgl

[jan-janssen]

Summary by CodeRabbit

• Chores
  • Updated the matgl dependency from version 0.9.2 to 1.1.1 for improved performance and stability.

[jan-janssen]

DGL backend not selected or invalid.  Assuming PyTorch for now.
E
======================================================================
ERROR: test_calc_evcurve (tests.test_ase_interface.test_evcurve_ase_matgl.TestEvCurve.test_calc_evcurve)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/usr/share/miniconda3/envs/my-env/lib/python3.11/site-packages/matgl/utils/io.py", line 212, in load_model
    return cls_.load(fpaths, **kwargs)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/share/miniconda3/envs/my-env/lib/python3.11/site-packages/matgl/utils/io.py", line 129, in load
    model = cls(**d)
            ^^^^^^^^
TypeError: Potential.__init__() got an unexpected keyword argument 'calc_magmom'

The above exception was the direct cause of the following exception:

Traceback (most recent call last):
  File "/home/runner/work/atomistics/atomistics/tests/test_ase_interface/test_evcurve_ase_matgl.py", line 25, in test_calc_evcurve
    ase_calculator = M3GNetCalculator(matgl.load_model("M3GNet-MP-2021.2.8-PES"))
                                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/usr/share/miniconda3/envs/my-env/lib/python3.11/site-packages/matgl/utils/io.py", line 214, in load_model
    raise ValueError(
ValueError: Bad serialized model or bad model name. It is possible that you have an older model cached. Please clear your cache by running `python -c "import matgl; matgl.clear_cache()"`

----------------------------------------------------------------------

[jan-janssen]

The models online changed, that is why the MatGL tests fail. materialsvirtuallab/matgl#242 I guess we just have to wait for them to release a new version.

[coderabbitai]

Walkthrough

The recent update focuses on upgrading the matgl dependency from version 0.9.2 to 1.1.1 within the .ci_support/environment-matgl.yml file. This change ensures compatibility with the latest features and improvements in the matgl package.

Changes

File	Change Summary
.ci_support/environment-matgl.yml	Upgraded matgl version from 0.9.2 to 1.1.1

🐰✨
In the land of code so bright,
Matgl's version took a flight,
From nine-two to one-one-one,
New features and fixes, oh what fun!
Our CI's now up to date,
With dependencies first-rate!
🐇💻

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[coderabbitai]

Actionable comments posted: 0

Review Details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between 2ff7350 and a995393.

Files selected for processing (1)

• .ci_support/environment-matgl.yml (1 hunks)

Files skipped from review due to trivial changes (1)

• .ci_support/environment-matgl.yml