[Code scan] Use run_config for CALYPSO model-deviation step options

Found by Codex global repository scan of deepmodeling/dpgen2 at commit 2679611a3704f5c2646c8cb353e34177518db758.

The CALYPSO model-deviation step uses the run template and run executor:

dpgen2/dpgen2/superop/prep_run_calypso.py

Lines 269 to 292 in 2679611

    
           # run model devi 
        
           run_caly_model_devi = Step( 
        
               "run-caly-model-devi", 
        
               template=PythonOPTemplate( 
        
                   run_caly_model_devi_op, 
        
                   slices=Slices( 
        
                       input_parameter=["task_name"], 
        
                       input_artifact=["traj_dirs"], 
        
                       output_artifact=["traj", "model_devi"], 
        
                   ), 
        
                   python_packages=upload_python_packages, 
        
                   **run_template_config, 
        
               ), 
        
               parameters={ 
        
                   "type_map": prep_run_caly_steps.inputs.parameters["type_map"], 
        
                   "task_name": prep_caly_model_devi.outputs.parameters["task_name_list"], 
        
               }, 
        
               artifacts={ 
        
                   "traj_dirs": prep_caly_model_devi.outputs.artifacts["grouped_traj_list"], 
        
                   "models": prep_run_caly_steps.inputs.artifacts["models"], 
        
               }, 
        
               key="%s--run-caly-model-devi-{{item}}" 
        
               % (prep_run_caly_steps.inputs.parameters["block_id"],), 
        
               executor=run_executor,

But the Step receives **prep_config instead of **run_config:

dpgen2/dpgen2/superop/prep_run_calypso.py

Lines 290 to 294 in 2679611

    
               key="%s--run-caly-model-devi-{{item}}" 
        
               % (prep_run_caly_steps.inputs.parameters["block_id"],), 
        
               executor=run_executor, 
        
               **prep_config, 
        
           )

This means step-level settings intended for the expensive run phase, such as parallelism or continue-on-failure behavior, can be silently ignored or replaced by prep-step settings.

Suggested fix: pass the remaining run_config to the run-caly-model-devi step and add a workflow construction test that verifies run-step configuration is applied to this step.

fix: apply CALYPSO run-step options

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[Code scan] Use run_config for CALYPSO model-deviation step options #354

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	# run model devi
	run_caly_model_devi = Step(
	"run-caly-model-devi",
	template=PythonOPTemplate(
	run_caly_model_devi_op,
	slices=Slices(
	input_parameter=["task_name"],
	input_artifact=["traj_dirs"],
	output_artifact=["traj", "model_devi"],
	),
	python_packages=upload_python_packages,
	**run_template_config,
	),
	parameters={
	"type_map": prep_run_caly_steps.inputs.parameters["type_map"],
	"task_name": prep_caly_model_devi.outputs.parameters["task_name_list"],
	},
	artifacts={
	"traj_dirs": prep_caly_model_devi.outputs.artifacts["grouped_traj_list"],
	"models": prep_run_caly_steps.inputs.artifacts["models"],
	},
	key="%s--run-caly-model-devi-{{item}}"
	% (prep_run_caly_steps.inputs.parameters["block_id"],),
	executor=run_executor,

[Code scan] Use run_config for CALYPSO model-deviation step options #354

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