deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.41k stars 487 forks source link

chore: rename j_must_have to j_deprecated and only warn about deprecated keys #3816

Closed njzjz closed 1 month ago

njzjz commented 1 month ago

Fix #3523.

Summary by CodeRabbit

coderabbitai[bot] commented 1 month ago

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Commits Files that changed from the base of the PR and between c7d560f13d3a264b04f7cb99ffdff69dd8c7f9fe and fa8b2a61d29024e8356583618de8d7ce306a5fbd.

Walkthrough

The changes involve the removal of the j_must_have function from various files in the deepmd project and replacing its usage with direct dictionary access. Additionally, the j_must_have function has been renamed to j_deprecated in deepmd/common.py, with updated parameter names and an optional deprecated_key parameter to issue warnings for deprecated keys.

Changes

File(s) Change Summary
deepmd/common.py Removed j_must_have function, renamed it to j_deprecated with updated parameters and added an optional deprecated_key.
deepmd/tf/common.py Removed j_must_have from the list of exported entities.
deepmd/tf/entrypoints/train.py, deepmd/tf/train/trainer.py Removed j_must_have function calls and directly accessed dictionary keys.
deepmd/utils/compat.py, deepmd/utils/data_system.py Replaced j_must_have with j_deprecated and updated direct dictionary key access.
source/tests/tf/... Removed j_must_have imports and calls, replaced with direct dictionary key access in multiple test files.

Assessment against linked issues

Objective (Issue #3523) Addressed Explanation
Rename j_must_have to j_deprecated and update parameters
Add optional deprecated_key parameter to j_deprecated
Remove j_must_have usage and replace with direct dictionary access

The changes meet the primary objectives of renaming the j_must_have function to j_deprecated, adding an optional deprecated_key parameter, and updating the codebase to remove j_must_have usage in favor of direct dictionary access.


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codecov[bot] commented 1 month ago

Codecov Report

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

Project coverage is 82.48%. Comparing base (7b16911) to head (fa8b2a6).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3816 +/- ## ========================================== - Coverage 82.48% 82.48% -0.01% ========================================== Files 516 516 Lines 49057 49057 Branches 2987 2986 -1 ========================================== - Hits 40466 40465 -1 - Misses 7680 7681 +1 Partials 911 911 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.

njzjz commented 1 month ago

@coderabbitai resolve

coderabbitai[bot] commented 1 month ago
Actions Performed Comments resolved.