Add train optional files

zjgemi commented 3 weeks ago

Summary by CodeRabbit

New Features
- Introduced the ability to specify optional files for training through new parameters in various functions and scripts.
- Enhanced the concurrent learning operation by allowing optional training files to be included.
Improvements
- Improved flexibility in training workflows by supporting optional files in multiple components.

coderabbitai[bot] commented 3 weeks ago

Walkthrough

The recent changes introduce a new optional parameter optional_files for handling additional training files across multiple functions and classes in the dpgen2 module. This parameter has been integrated into various functions such as dp_dist_train_args, dp_train_args, and make_concurrent_learning_op. Additionally, the logic for handling these optional files has been incorporated into the run_dp_train.py and prep_run_dp_train.py scripts, allowing for more flexible and dynamic training workflows.

Changes

File(s)	Summary
`.../entrypoint/args.py`	Added `optional_files` parameter to `dp_dist_train_args` and `dp_train_args` functions.
`.../entrypoint/submit.py`	Added `train_optional_files` parameter to `make_concurrent_learning_op`. Extracted `optional_files` from config in `workflow_concurrent_learning`.
`.../op/run_dp_train.py`	Added `optional_files` parameter to the `get_input_sign` and `clean_before_quit` methods.
`.../superop/prep_run_dp_train.py`	Added `optional_files` parameter to the `__init__` and `_prep_run_dp_train` methods. Updated logic to handle `optional_files`.

Sequence Diagram(s)

sequenceDiagram
    participant Config
    participant Workflow
    participant MakeOp
    participant PrepRunDPTrain
    participant RunDPTrain

    Config->>Workflow: Extract train_optional_files
    Workflow->>MakeOp: Call make_concurrent_learning_op with train_optional_files
    MakeOp->>PrepRunDPTrain: Instantiate with optional_files
    PrepRunDPTrain->>RunDPTrain: Call _prep_run_dp_train with optional_files
    RunDPTrain->>RunDPTrain: Symlink files specified in optional_files

In this sequence, the program starts by extracting train_optional_files from the configuration. This information is then passed through the workflow to the make_concurrent_learning_op function, which in turn passes it to PrepRunDPTrain and subsequently to RunDPTrain, where the optional files are handled (e.g., symlinked for training purposes). This flow demonstrates the integration and propagation of the optional_files parameter across different parts of the system.

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codecov[bot] commented 3 weeks ago

Codecov Report

Attention: Patch coverage is 66.66667% with 2 lines in your changes missing coverage. Please review.

Project coverage is 84.46%. Comparing base (43c3b90) to head (016bc2d).

Files	Patch %	Lines
dpgen2/op/run_dp_train.py	33.33%	2 Missing :warning:

Additional details and impacted files

```diff @@ Coverage Diff @@ ## master #236 +/- ## ========================================== - Coverage 84.48% 84.46% -0.03% ========================================== Files 96 96 Lines 5279 5285 +6 ========================================== + Hits 4460 4464 +4 - Misses 819 821 +2 ```

:umbrella: View full report in Codecov by Sentry.
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deepmodeling / dpgen2