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Luthaf
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Feb 5, 2026
| "ignore: trying to upgrade an old model checkpoint with unknown version, this might fail and require manual modifications" | ||
| "ignore: trying to upgrade an old model checkpoint with unknown version, this might fail and require manual modifications", | ||
| # TorchScript deprecation warnings | ||
| "ignore: `torch.jit.script` is deprecated. Please switch to `torch.compile` or `torch.export`.", |
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This will hide the warnings from CI, but users would still get them. Are you fine with this?
Luthaf
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Feb 5, 2026
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As mentioned in #88 , in the current implementation of the
UPETCalculatormodel undergoes torch-scripting by calling theAtomisticModel.save()method, that requires saving a temporary model file on disk. This can be avoided by directly scripting the model inget_upet()function and initialising the calculator with a scripted version.