Comments (6)
shyuep
commented on June 15, 2024
This should have been solved with the recent replacement of the Cython file with a pure python version.
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janosh
commented on June 15, 2024
It's still failing. For unknown reasons, pip install m3gnet will download lots of old versions of m3gnet:
Collecting m3gnet
Downloading m3gnet-0.2.3-py3-none-any.whl (285 kB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 285.0/285.0 kB 12.9 MB/s eta 0:00:00
Collecting pymatgen
Downloading pymatgen-2022.11.7.tar.gz (2.6 MB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 2.6/2.6 MB 85.0 MB/s eta 0:00:00
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Installing backend dependencies: started
Installing backend dependencies: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
Collecting m3gnet
Downloading m3gnet-0.2.2-py3-none-any.whl (285 kB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 285.0/285.0 kB 67.1 MB/s eta 0:00:00
Downloading m3gnet-0.2.1-py3-none-any.whl (285 kB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 285.1/285.1 kB 72.2 MB/s eta 0:00:00
Downloading m3gnet-0.2.0-py3-none-any.whl (285 kB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 285.1/285.1 kB 61.6 MB/s eta 0:00:00
Downloading m3gnet-0.1.1.tar.gz (1.6 MB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 1.6/1.6 MB 103.5 MB/s eta 0:00:00
...
and the old versions fail to install with the same old error. I see this both locally and in CI. Installing with --no-deps seems to prevent that but might cause other problems.
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shyuep
commented on June 15, 2024
It might be due to the python versions? There is no reason why this doesn't work on Python 3.10 itself, but tensorflow may have requirements.....
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janosh
commented on June 15, 2024
Yeah, looks like TF is lacking Python 3.11 support at this point:
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shyuep
commented on June 15, 2024
Well, you can always skip isntall of m3gnet if it is py3.11 for now.
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janosh
commented on June 15, 2024
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Related Issues (20)
- Transfer learning with m3gnet
- m3gnet for 1 or 2 atoms ValueError with tensorflow==2.10.0 HOT 4
- Only isolated atom calculation is difficult for m3gnet? HOT 1
- Get energy above hull through the m3gnet model HOT 1
- segmentation issue with energy calculation for some structures HOT 3
- Feature request: relaxation under pressure
- Cannot read 'structure' of the figshare training data HOT 2
- Error in loss function during training HOT 1
- Inconsistent results when predicting on batches with GPU HOT 1
- a suggestion to change predict_structure function name of m3gNet to predict_energy HOT 1
- fix atoms during MD/relax HOT 2
- Derivatives of forces are NaN when there's a right angle in a structure
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- Potential fails to predict structure without threebody interaction in threebody cutoff of 4 Å HOT 5
- Model restored from checkpoint predicts wrong energies
- Recovering MatBench results from weights for submission
- Validation Structures of None results in termination for PotentialTrainer
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