diff --git a/dpgen2/entrypoint/main.py b/dpgen2/entrypoint/main.py index 08493917..00ee55e3 100644 --- a/dpgen2/entrypoint/main.py +++ b/dpgen2/entrypoint/main.py @@ -1,22 +1,12 @@ import argparse import json import logging -import os import textwrap from typing import ( List, Optional, ) -import dflow -from dflow import ( - Step, - Steps, - Workflow, - download_artifact, - upload_artifact, -) - from dpgen2 import ( __version__, ) diff --git a/dpgen2/entrypoint/showkey.py b/dpgen2/entrypoint/showkey.py index 36055426..498533bf 100644 --- a/dpgen2/entrypoint/showkey.py +++ b/dpgen2/entrypoint/showkey.py @@ -1,11 +1,3 @@ -import glob -import os -import pickle -from pathlib import ( - Path, -) - -import dpdata from dflow import ( Workflow, ) diff --git a/dpgen2/entrypoint/status.py b/dpgen2/entrypoint/status.py index d6164647..1698f518 100644 --- a/dpgen2/entrypoint/status.py +++ b/dpgen2/entrypoint/status.py @@ -1,9 +1,7 @@ import logging from typing import ( Dict, - List, Optional, - Union, ) from dflow import ( diff --git a/dpgen2/entrypoint/submit.py b/dpgen2/entrypoint/submit.py index 203478dc..9e07374f 100644 --- a/dpgen2/entrypoint/submit.py +++ b/dpgen2/entrypoint/submit.py @@ -1,10 +1,7 @@ import copy -import glob import json import logging import os -import pickle -import re from copy import ( deepcopy, ) @@ -15,12 +12,8 @@ Dict, List, Optional, - Tuple, - Type, - Union, ) -import dpdata from dflow import ( ArgoStep, InputArtifact, @@ -588,7 +581,7 @@ def workflow_concurrent_learning( if fp_style == "deepmd": assert ( "teacher_model_path" in fp_config["run"] - ), f"Cannot find 'teacher_model_path' in config['fp']['run_config'] when fp_style == 'deepmd'" + ), "Cannot find 'teacher_model_path' in config['fp']['run_config'] when fp_style == 'deepmd'" assert os.path.exists( fp_config["run"]["teacher_model_path"] ), f"No such file: {fp_config['run']['teacher_model_path']}" diff --git a/dpgen2/entrypoint/watch.py b/dpgen2/entrypoint/watch.py index 891be817..e8654039 100644 --- a/dpgen2/entrypoint/watch.py +++ b/dpgen2/entrypoint/watch.py @@ -4,7 +4,6 @@ Dict, List, Optional, - Union, ) from dflow import ( @@ -43,28 +42,29 @@ def update_finished_steps( if finished_keys is not None: diff_keys = [] for kk in wf_keys: - if not (kk in finished_keys): + if kk not in finished_keys: diff_keys.append(kk) else: diff_keys = wf_keys for kk in diff_keys: - logging.info(f'steps {kk.ljust(50,"-")} finished') + logging.info(f"steps {kk.ljust(50, '-')} finished") if download: download_dpgen2_artifacts(wf, kk, prefix=prefix, chk_pnt=chk_pnt) - logging.info(f'steps {kk.ljust(50,"-")} downloaded') + logging.info(f"steps {kk.ljust(50, '-')} downloaded") finished_keys = wf_keys return finished_keys def watch( workflow_id, - wf_config: Optional[Dict] = {}, + wf_config: Optional[dict] = None, watching_keys: Optional[List] = default_watching_keys, frequency: float = 600.0, download: bool = False, prefix: Optional[str] = None, chk_pnt: bool = False, ): + wf_config = wf_config or {} wf_config = normalize_args(wf_config) global_config_workflow(wf_config) diff --git a/dpgen2/entrypoint/workflow.py b/dpgen2/entrypoint/workflow.py index 8cc4cc04..6e7e363a 100644 --- a/dpgen2/entrypoint/workflow.py +++ b/dpgen2/entrypoint/workflow.py @@ -1,7 +1,4 @@ import argparse -import json -import logging -import os from typing import ( Optional, ) @@ -38,8 +35,9 @@ def add_subparser_workflow_subcommand(subparsers, command: str): def execute_workflow_subcommand( command: str, wfid: str, - wf_config: Optional[dict] = {}, + wf_config: Optional[dict] = None, ): + wf_config = wf_config or {} wf_config = normalize_args(wf_config) global_config_workflow(wf_config) wf = Workflow(id=wfid) diff --git a/dpgen2/fp/prep_fp.py b/dpgen2/fp/prep_fp.py index a43f582a..962be031 100644 --- a/dpgen2/fp/prep_fp.py +++ b/dpgen2/fp/prep_fp.py @@ -1,5 +1,3 @@ -import json -import os from abc import ( ABC, abstractmethod, @@ -9,11 +7,8 @@ ) from typing import ( Any, - Dict, List, - Set, Tuple, - Union, ) import dpdata diff --git a/dpgen2/fp/run_fp.py b/dpgen2/fp/run_fp.py index 64e0c3a8..254936d0 100644 --- a/dpgen2/fp/run_fp.py +++ b/dpgen2/fp/run_fp.py @@ -1,4 +1,3 @@ -import json import os from abc import ( ABC, @@ -10,12 +9,10 @@ from typing import ( Dict, List, - Set, Tuple, ) import dargs -import dpdata from dflow.python import ( OP, OPIO, diff --git a/dpgen2/fp/vasp.py b/dpgen2/fp/vasp.py index 8d8cebbe..b8b12b28 100644 --- a/dpgen2/fp/vasp.py +++ b/dpgen2/fp/vasp.py @@ -6,12 +6,8 @@ Path, ) from typing import ( - Dict, List, - Optional, - Set, Tuple, - Union, ) import dpdata diff --git a/dpgen2/fp/vasp_input.py b/dpgen2/fp/vasp_input.py index 8bbad820..2b60b18e 100644 --- a/dpgen2/fp/vasp_input.py +++ b/dpgen2/fp/vasp_input.py @@ -10,7 +10,6 @@ Union, ) -import dpdata import numpy as np from dargs import ( Argument,