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rename library v2 #49

Merged
merged 7 commits into from
Apr 18, 2023
Merged

rename library v2 #49

merged 7 commits into from
Apr 18, 2023

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luigibonati
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Description

renaming library, lightning and other stuff

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codecov bot commented Apr 18, 2023

Codecov Report

Merging #49 (5d76373) into lightning (f5a7b2f) will not change coverage.
The diff coverage is 0.00%.

@luigibonati
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luigibonati commented Apr 18, 2023

List of changes:

  • mlcvs --> mlcolvar
  • pytorch_lightning --> lightning
  • import lightning as pl --> import lightning (and pl. --> lightning.)
  • lightning.callbacks --> lightning.pytorch.callbacks
  • lightning.loggers --> lightning.pytorch.loggers

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luigibonati commented Apr 18, 2023

Both the mlcolvar/tests/test_cvs_multitask_multitask.py and DeepTDA notebook fail for tensors on different devices (in local, by default GPU is used if available)

@luigibonati
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@EnricoTrizio I think the tests are failing on GPU when TDA loss is used:

# compute loss function contributes for class i
>           loss_centers[i] = alpha*(mu - target_centers[i]).pow(2)
E           RuntimeError: Expected all tensors to be on the same device, but found at least two devices, cuda:0 and cpu!

@luigibonati luigibonati merged commit cb61a87 into lightning Apr 18, 2023
@luigibonati luigibonati deleted the rename branch April 18, 2023 20:11
@luigibonati
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@andrrizzi @EnricoTrizio I am merging this.
Note that you might have to reinstall the library
The last thing which needs to be changed is the repo name (and then also read the docs)

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