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breaking: pt: remove data preprocess from data stat #3261

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merged 15 commits into from
Feb 13, 2024

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iProzd
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@iProzd iProzd commented Feb 11, 2024

This PR:

  • Remove data preprocess from data stat.

  • Cleanup dependency of data preprocess in dataset and dataloader.

Note that:

  • DeepmdDataSystem still has dependency for PyTorch, which leaves for @CaRoLZhangxy to clean up.

  • Denoise part in DeepmdDataSystem still needs further clean up, which leaves for @Chengqian-Zhang.


def init_desc_stat(self, sumr, suma, sumn, sumr2, suma2):
def init_desc_stat(self, sumr, suma, sumn, sumr2, suma2, **kwargs):

Check warning

Code scanning / CodeQL

Signature mismatch in overriding method Warning

Overriding method 'init_desc_stat' has signature mismatch with
overridden method
.

def init_desc_stat(self, sumr, suma, sumn, sumr2, suma2):
def init_desc_stat(self, sumr, suma, sumn, sumr2, suma2, **kwargs):

Check warning

Code scanning / CodeQL

Signature mismatch in overriding method Warning

Overriding method 'init_desc_stat' has signature mismatch with
overridden method
.
deepmd/pt/model/descriptor/se_a.py Fixed Show resolved Hide resolved
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codecov bot commented Feb 11, 2024

Codecov Report

Attention: 10 lines in your changes are missing coverage. Please review.

Comparison is base (398eb7a) 75.27% compared to head (64e510e) 74.82%.

Files Patch % Lines
deepmd/pt/utils/dataset.py 30.00% 7 Missing ⚠️
deepmd/pt/model/descriptor/hybrid.py 66.66% 1 Missing ⚠️
deepmd/pt/model/descriptor/repformers.py 80.00% 1 Missing ⚠️
deepmd/pt/model/descriptor/se_atten.py 83.33% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3261      +/-   ##
==========================================
- Coverage   75.27%   74.82%   -0.46%     
==========================================
  Files         373      373              
  Lines       33252    33040     -212     
  Branches     1604     1604              
==========================================
- Hits        25032    24721     -311     
- Misses       7349     7448      +99     
  Partials      871      871              

☔ View full report in Codecov by Sentry.
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deepmd/pt/model/descriptor/hybrid.py Outdated Show resolved Hide resolved
deepmd/pt/model/descriptor/se_a.py Fixed Show resolved Hide resolved
@iProzd iProzd requested a review from njzjz February 12, 2024 13:52
deepmd/pt/utils/nlist.py Outdated Show resolved Hide resolved
deepmd/pt/utils/dataset.py Show resolved Hide resolved
@iProzd iProzd requested a review from wanghan-iapcm February 13, 2024 14:45
@wanghan-iapcm wanghan-iapcm merged commit e41b091 into deepmodeling:devel Feb 13, 2024
46 checks passed
@njzjz njzjz mentioned this pull request Apr 2, 2024
@iProzd iProzd deleted the data_load branch April 24, 2024 09:12
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5 participants