deepmodeling / dpgen2

2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
31 stars 22 forks source link

Add train args #233

Closed zjgemi closed 1 month ago

zjgemi commented 1 month ago

Summary by CodeRabbit

coderabbitai[bot] commented 1 month ago
Walkthrough ## Walkthrough The changes involve enhancing the `dpgen2/op/run_dp_train.py` script by introducing a `train_args` parameter. This new parameter allows for additional arguments to be passed during the training command construction and execution process. This update necessitates modifications to the function signature and implementation of `_make_train_command`, `execute`, and `clean_before_quit`, as well as the definition of `training_args` to include and handle the new `train_args`. ## Changes | File | Change Summary | |-----------------------------------------|--------------------------------------------------------------------------------| | dpgen2/.../run_dp_train.py | Added `train_args` parameter to `_make_train_command`, `execute`, `clean_before_quit`, and `training_args` functions for enhanced command flexibility. | ## Sequence Diagram(s) ```mermaid sequenceDiagram participant User participant Script participant ModelTrainer Note right of User: Start training process User->>Script: Call `execute` with train_args Script->>Script: Extract `train_args` from config Script->>ModelTrainer: Construct command with `train_args` ModelTrainer->>Script: Execute training command Script->>User: Return results ```

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Commits Files that changed from the base of the PR and between e864d5831a213c781f7a938429520099a03984a5 and 699d98ac9429fb88bc4ee0db1770c7cebf01cbd4.
Files selected for processing (1) * dpgen2/op/run_dp_train.py (6 hunks)
Additional context used
Ruff
dpgen2/op/run_dp_train.py
13-13: `typing.Tuple` imported but unused (F401) Remove unused import: `typing.Tuple` --- 20-20: `dargs.ArgumentEncoder` imported but unused (F401) Remove unused import --- 21-21: `dargs.Variant` imported but unused (F401) Remove unused import --- 22-22: `dargs.dargs` imported but unused (F401) Remove unused import --- 33-33: `dflow.python.TransientError` imported but unused (F401) Remove unused import: `dflow.python.TransientError` --- 38-38: `dpgen2.constants.train_task_pattern` imported but unused (F401) Remove unused import: `dpgen2.constants.train_task_pattern` --- 63-65: Use format specifiers instead of percent format (UP031) Replace with format specifiers --- 122-124: Use format specifiers instead of percent format (UP031) Replace with format specifiers --- 249-252: Use ternary operator `dp_command = ["dp", "--pt"] if impl == "pytorch" else ["dp"]` instead of `if`-`else`-block (SIM108) Replace `if`-`else`-block with `dp_command = ["dp", "--pt"] if impl == "pytorch" else ["dp"]` --- 272-275: Use ternary operator `major_version = "1" if "systems" in train_dict["training"] else "2"` instead of `if`-`else`-block (SIM108) Replace `if`-`else`-block with `major_version = "1" if "systems" in train_dict["training"] else "2"` --- 325-325: Use context handler for opening files (SIM115) --- 671-671: Do not use mutable data structures for argument defaults (B006) Replace with `None`; initialize within function
Additional comments not posted (1)
dpgen2/op/run_dp_train.py (1)
Line range hint `57-100`: Ensure the new `train_args` parameter is consistently handled across different cases in `_make_train_command`. This function has been correctly updated to handle the new `train_args` parameter across various training scenarios.
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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 84.48%. Comparing base (0a85fdc) to head (699d98a). Report is 2 commits behind head on master.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #233 +/- ## ======================================= Coverage 84.47% 84.48% ======================================= Files 96 96 Lines 5276 5279 +3 ======================================= + Hits 4457 4460 +3 Misses 819 819 ```

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