Bump mace-torch from 0.3.4 to 0.3.5

[dependabot[bot]]

Bumps mace-torch from 0.3.4 to 0.3.5.

Release notes

Sourced from mace-torch's releases.

v0.3.5

What's Changed

• on the fly data loading by @​davkovacs in ACEsuit/mace#73
• On the fly dataloading by @​davkovacs in ACEsuit/mace#81
• Make matscipy default neighbour list by @​ilyes319 in ACEsuit/mace#64
• Multi gpu by @​ilyes319 in ACEsuit/mace#99
• Slight modification to HDF5Dataset by @​sivonxay in ACEsuit/mace#117
• Multi-node, multi-GPU data parallel training. by @​samwaltonnorwood in ACEsuit/mace#105
• Multi-processing by @​mavaylon1 in ACEsuit/mace#133
• Develop by @​ilyes319 in ACEsuit/mace#207
• load_foundations support for max_L other than 2 by @​bernstei in ACEsuit/mace#273
• print validation error before any training by @​bernstei in ACEsuit/mace#288
• update foundations with develop by @​ilyes319 in ACEsuit/mace#299
• Ilyes319 patch 3 by @​ilyes319 in ACEsuit/mace#305
• Warning on float64 training with PyTorch 2.1 by @​ilyes319 in ACEsuit/mace#306
• Foundations by @​ilyes319 in ACEsuit/mace#307
• initial torch.compile support (inference only) by @​hatemhelal in ACEsuit/mace#300
• Handle a wider range of possible slurm env vars by @​bernstei in ACEsuit/mace#332
• Update plot_train.py by @​zhubonan in ACEsuit/mace#352
• add note on mp corrections on energies by @​chiang-yuan in ACEsuit/mace#342
• Update compile test case to use larger test system by @​hatemhelal in ACEsuit/mace#310
• Adding pre-commit checks and github action runners by @​hatemhelal in ACEsuit/mace#302
• Add torch.compile compatiblity by @​ilyes319 in ACEsuit/mace#354
• Add an option to set the D3 damping function, which defaults to D3(BJ) by @​Andrew-S-Rosen in ACEsuit/mace#268
• Use HTTPS for MACE MP checkpoint URLs by @​janosh in ACEsuit/mace#318
• Add multi-GPU, data parallelisation, pair repulsion and distance transforms. by @​ilyes319 in ACEsuit/mace#359
• Add multi-GPU dataparallel by @​ilyes319 in ACEsuit/mace#74
• Add mutli-GPU training, data parrallelisation, pair repulsion, distance transform and other features by @​ilyes319 in ACEsuit/mace#363
• Add metadata saving to compiled model and hot fix stress extraction by @​ilyes319 in ACEsuit/mace#387
• Fix workflows check by @​ilyes319 in ACEsuit/mace#388
• add GitPython to deps by @​ilyes319 in ACEsuit/mace#389
• add pylint to pre-commit by @​ilyes319 in ACEsuit/mace#391
• fixed readme typos, and commit by @​ilyes319 in ACEsuit/mace#399
• make cli scripts importable from python by @​alinelena in ACEsuit/mace#398
• Develop by @​ilyes319 in ACEsuit/mace#418
• Improve warning for "energy", "forces" key by @​ilyes319 in ACEsuit/mace#419
• log errors and handle checkpoint io on rank 0 only by @​jharrymoore in ACEsuit/mace#420
• Fix checkpoint for multi-GPU by @​ilyes319 in ACEsuit/mace#421
• removed wront argument parsing in preprocess_data by @​VondrakMar in ACEsuit/mace#423
• Fix preprocess data and pylint by @​ilyes319 in ACEsuit/mace#424
• fix atom e0s being subtracted twice in mace calculator by @​RokasEl in ACEsuit/mace#425
• fix atom e0s being subtracted twice in mace calculator by @​ilyes319 in ACEsuit/mace#426
• fix bug test set stress key by @​ilyes319 in ACEsuit/mace#428

New Contributors

• @​samwaltonnorwood made their first contribution in ACEsuit/mace#105
• @​mavaylon1 made their first contribution in ACEsuit/mace#133
• @​hatemhelal made their first contribution in ACEsuit/mace#300
• @​zhubonan made their first contribution in ACEsuit/mace#352
• @​Andrew-S-Rosen made their first contribution in ACEsuit/mace#268

... (truncated)

Commits

• dee204f Merge pull request #428 from ACEsuit/develop
• c9768ed fix forces key warning log
• 4a4b12b fix bug test set stress key
• 1efd488 Merge pull request #426 from ACEsuit/develop
• e6a6869 Merge pull request #425 from RokasEl/develop
• 279e562 fix atom e0s being subtracted twice in mace calculator
• b41f70a Merge pull request #424 from ACEsuit/develop
• 81f4f8c Merge pull request #423 from VondrakMar/preprocess_parse
• d903429 Merge pull request #421 from ACEsuit/develop
• 3cc7c3d fix formatting
• Additional commits viewable in compare view

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Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 99.07%. Comparing base (c0ab453) to head (1dccc42). Report is 2 commits behind head on main.

Additional details and impacted files

```diff @@ Coverage Diff @@ ## main #2305 +/- ## ======================================= Coverage 99.07% 99.07% ======================================= Files 83 83 Lines 3465 3465 ======================================= Hits 3433 3433 Misses 32 32 ```

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