add isort to sort imports (#126)

This is an automatic tool to format and sort imports. See
https://github.com/PyCQA/isort for details.

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Han Wang <92130845+wanghan-iapcm@users.noreply.github.com>

.pre-commit-config.yaml

@@ -19,3 +19,8 @@ repos:
     rev: 22.12.0
     hooks:
     -   id: black-jupyter
+-   repo: https://github.com/PyCQA/isort
+    rev: 5.12.0
+    hooks:
+    - id: isort
+    files: \.py$

docs/conf.py

@@ -12,8 +12,9 @@
 #
 import os
 import sys
-from datetime import date
-
+from datetime import (
+    date,
+)
 
 # -- Project information -----------------------------------------------------
 
@@ -67,7 +68,9 @@
 
 
 def run_apidoc(_):
-    from sphinx.ext.apidoc import main
+    from sphinx.ext.apidoc import (
+        main,
+    )
 
     sys.path.append(os.path.join(os.path.dirname(__file__), ".."))
     cur_dir = os.path.abspath(os.path.dirname(__file__))

dpgen2/__init__.py

@@ -1,4 +1,6 @@
 try:
     from ._version import version as __version__
 except ImportError:
-    from .__about__ import __version__
+    from .__about__ import (
+        __version__,
+    )

dpgen2/__main__.py

@@ -1,4 +1,6 @@
-from .entrypoint.main import main
+from .entrypoint.main import (
+    main,
+)
 
 if __name__ == "__main__":
     main()

dpgen2/conf/__init__.py

@@ -1,9 +1,9 @@
-from .conf_generator import (
-    ConfGenerator,
-)
 from .alloy_conf import (
     AlloyConfGenerator,
 )
+from .conf_generator import (
+    ConfGenerator,
+)
 from .file_conf import (
     FileConfGenerator,
 )

dpgen2/conf/alloy_conf.py

@@ -1,15 +1,28 @@
 import random
-import dpdata
 import tempfile
+from pathlib import (
+    Path,
+)
+from typing import (
+    List,
+    Optional,
+    Tuple,
+    Union,
+)
+
+import dpdata
 import numpy as np
-from pathlib import Path
-from typing import Optional, Union, List, Tuple
 from dargs import (
     Argument,
     Variant,
 )
-from .unit_cells import generate_unit_cell
-from .conf_generator import ConfGenerator
+
+from .conf_generator import (
+    ConfGenerator,
+)
+from .unit_cells import (
+    generate_unit_cell,
+)
 
 
 class AlloyConfGenerator(ConfGenerator):

dpgen2/conf/conf_generator.py

@@ -1,15 +1,18 @@
-import dpdata
-import dargs
 import tempfile
-from pathlib import Path
-from typing import (
-    List,
-    Dict,
-)
 from abc import (
     ABC,
     abstractmethod,
 )
+from pathlib import (
+    Path,
+)
+from typing import (
+    Dict,
+    List,
+)
+
+import dargs
+import dpdata
 
 
 class ConfGenerator(ABC):

dpgen2/conf/file_conf.py

@@ -1,14 +1,25 @@
+import glob
 import os
+from pathlib import (
+    Path,
+)
+from typing import (
+    List,
+    Optional,
+    Tuple,
+    Union,
+)
+
 import dpdata
-import glob
-from pathlib import Path
-from .conf_generator import ConfGenerator
-from typing import Optional, Union, List, Tuple
 from dargs import (
     Argument,
     Variant,
 )
 
+from .conf_generator import (
+    ConfGenerator,
+)
+
 
 class FileConfGenerator(ConfGenerator):
     def __init__(

dpgen2/conf/unit_cells.py

@@ -1,7 +1,10 @@
+import tempfile
+from pathlib import (
+    Path,
+)
+
 import dpdata
 import numpy as np
-from pathlib import Path
-import tempfile
 
 
 def generate_unit_cell(

dpgen2/entrypoint/args.py

@@ -3,18 +3,33 @@
     Argument,
     Variant,
 )
+from dflow.plugins.lebesgue import (
+    LebesgueExecutor,
+)
+
 import dpgen2
-from dpgen2.constants import default_image
-from dflow.plugins.lebesgue import LebesgueExecutor
-from dpgen2.op.run_dp_train import RunDPTrain
-from dpgen2.op.run_lmp import RunLmp
+from dpgen2.conf import (
+    conf_styles,
+)
+from dpgen2.constants import (
+    default_image,
+)
+from dpgen2.exploration.report import (
+    conv_styles,
+)
+from dpgen2.fp import (
+    fp_styles,
+)
+from dpgen2.op.run_dp_train import (
+    RunDPTrain,
+)
+from dpgen2.op.run_lmp import (
+    RunLmp,
+)
 from dpgen2.utils import (
-    step_conf_args,
     normalize_step_dict,
+    step_conf_args,
 )
-from dpgen2.fp import fp_styles
-from dpgen2.conf import conf_styles
-from dpgen2.exploration.report import conv_styles
 
 
 def dp_dist_train_args():

dpgen2/entrypoint/common.py

@@ -1,22 +1,26 @@
-import dflow
-from pathlib import Path
 import os
+from pathlib import (
+    Path,
+)
+from typing import (
+    Dict,
+    List,
+    Optional,
+    Union,
+)
+
+import dflow
+
 from dpgen2.utils import (
+    bohrium_config_from_dict,
     dump_object_to_file,
     load_object_from_file,
-    sort_slice_ops,
+    matched_step_key,
     print_keys_in_nice_format,
+    sort_slice_ops,
     workflow_config_from_dict,
-    matched_step_key,
-    bohrium_config_from_dict,
 )
 from dpgen2.utils.step_config import normalize as normalize_step_dict
-from typing import (
-    Union,
-    List,
-    Dict,
-    Optional,
-)
 
 
 def global_config_workflow(
@@ -33,7 +37,9 @@ def global_config_workflow(
     # lebesgue context
     lebesgue_context = None
     if do_lebesgue:
-        from dflow.plugins.lebesgue import LebesgueContext
+        from dflow.plugins.lebesgue import (
+            LebesgueContext,
+        )
 
         lb_context_config = wf_config.get("lebesgue_context_config", None)
         if lb_context_config:

dpgen2/entrypoint/download.py

@@ -1,25 +1,25 @@
 import logging
+from typing import (
+    Dict,
+    List,
+    Optional,
+    Union,
+)
+
 from dflow import (
     Workflow,
 )
+
+from dpgen2.entrypoint.args import normalize as normalize_args
+from dpgen2.entrypoint.common import (
+    global_config_workflow,
+)
 from dpgen2.utils.dflow_query import (
     matched_step_key,
 )
 from dpgen2.utils.download_dpgen2_artifacts import (
     download_dpgen2_artifacts,
 )
-from typing import (
-    Optional,
-    Dict,
-    Union,
-    List,
-)
-from dpgen2.entrypoint.common import (
-    global_config_workflow,
-)
-from dpgen2.entrypoint.args import (
-    normalize as normalize_args,
-)
 
 
 def download(

dpgen2/entrypoint/main.py

@@ -1,42 +1,49 @@
-import argparse, os, json, logging
+import argparse
+import json
+import logging
+import os
+from typing import (
+    List,
+    Optional,
+)
 
 from dflow import (
-    Workflow,
     Step,
     Steps,
-    upload_artifact,
+    Workflow,
     download_artifact,
+    upload_artifact,
 )
-from typing import (
-    Optional,
-    List,
-)
-from .submit import (
-    make_concurrent_learning_op,
-    make_naive_exploration_scheduler,
-    workflow_concurrent_learning,
-    submit_concurrent_learning,
-    resubmit_concurrent_learning,
+
+from dpgen2 import (
+    __version__,
 )
-from .status import (
-    status,
+
+from .download import (
+    download,
 )
 from .showkey import (
     showkey,
 )
-from .download import (
-    download,
+from .status import (
+    status,
+)
+from .submit import (
+    make_concurrent_learning_op,
+    make_naive_exploration_scheduler,
+    resubmit_concurrent_learning,
+    submit_concurrent_learning,
+    workflow_concurrent_learning,
 )
 from .watch import (
-    watch,
     default_watching_keys,
+    watch,
 )
 from .workflow import (
-    workflow_subcommands,
     add_subparser_workflow_subcommand,
     execute_workflow_subcommand,
+    workflow_subcommands,
 )
-from dpgen2 import __version__
 
 
 def main_parser() -> argparse.ArgumentParser:

dpgen2/entrypoint/showkey.py

@@ -1,17 +1,24 @@
-import glob, dpdata, os, pickle
-from pathlib import Path
+import glob
+import os
+import pickle
+from pathlib import (
+    Path,
+)
+
+import dpdata
 from dflow import (
     Workflow,
 )
-from dpgen2.entrypoint.submit import get_resubmit_keys
-from dpgen2.utils import (
-    print_keys_in_nice_format,
-)
+
+from dpgen2.entrypoint.args import normalize as normalize_args
 from dpgen2.entrypoint.common import (
     global_config_workflow,
 )
-from dpgen2.entrypoint.args import (
-    normalize as normalize_args,
+from dpgen2.entrypoint.submit import (
+    get_resubmit_keys,
+)
+from dpgen2.utils import (
+    print_keys_in_nice_format,
 )