Fix issues in CI - Githubissues

luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations

MIT License

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Fix issues in CI #129

Closed EnricoTrizio closed 4 months ago

EnricoTrizio commented 4 months ago

Description

Tests failing:

General, PyTorch dismissed the _accumulate function we were using in data/datamodule.py

I added the function explicitly in the datamodule file

On MacOS 14 because it doesn't support some device-related function anymore apparently

This closes #128

TODO

Check if tests succeed

Status

[ ] Ready to go

EnricoTrizio commented 4 months ago

The problem should have been fixed in PyTorch from version 2.1 in https://github.com/pytorch/pytorch/pull/111576 The test env installs PyTorch from conda-forge. Probably doing it from the PyTorch channel would give the latest pytorch where the device issue has been solved

EDIT

I tried to use the latest version of PyTorch, as they apparently addressed the problem, but it didn't change much for us. For now, I would test it on MacOS-13 and leave an open issue to remember to change it in the future when the 14 becomes stable again.

codecov[bot] commented 4 months ago

Codecov Report

Attention: Patch coverage is 80.00000% with 2 lines in your changes are missing coverage. Please review.

Project coverage is 91.97%. Comparing base (8c2ede9) to head (703f7fa).

Additional details and impacted files