[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

backend/dp_backend.py

@@ -1,11 +1,7 @@
 """A PEP-517 backend to find TensorFlow."""
-from typing import (
-    List,
-)
+from typing import List
 
-from find_tensorflow import (
-    find_tensorflow,
-)
+from find_tensorflow import find_tensorflow
 
 # TODO: switch to scikit_build_core after it is available
 from setuptools import build_meta as _orig

backend/find_tensorflow.py

@@ -1,27 +1,15 @@
 import os
 import site
-from importlib.machinery import (
-    FileFinder,
-)
-from importlib.util import (
-    find_spec,
-)
-from pathlib import (
-    Path,
-)
-from sysconfig import (
-    get_path,
-)
-from typing import (
-    List,
-    Optional,
-    Tuple,
-    Union,
-)
-
-from packaging.specifiers import (
-    SpecifierSet,
-)
+from importlib.machinery import FileFinder
+from importlib.util import find_spec
+from pathlib import Path
+from sysconfig import get_path
+from typing import List
+from typing import Optional
+from typing import Tuple
+from typing import Union
+
+from packaging.specifiers import SpecifierSet
 
 
 def find_tensorflow() -> Tuple[Optional[str], List[str]]:

data/json/json2yaml.py

@@ -2,12 +2,8 @@
 
 import argparse
 import json
-from pathlib import (
-    Path,
-)
-from warnings import (
-    warn,
-)
+from pathlib import Path
+from warnings import warn
 
 import yaml
 

deepmd/__init__.py

@@ -1,41 +1,29 @@
 """Root of the deepmd package, exposes all public classes and submodules."""
 
 try:
-    from importlib import (
-        metadata,
-    )
+    from importlib import metadata
 except ImportError:  # for Python<3.8
     import importlib_metadata as metadata
 
 import deepmd.utils.network as network
 
-from . import (
-    cluster,
-    descriptor,
-    fit,
-    loss,
-    nvnmd,
-    utils,
-)
-from .env import (
-    set_mkl,
-)
-from .infer import (
-    DeepEval,
-    DeepPotential,
-)
-from .infer.data_modifier import (
-    DipoleChargeModifier,
-)
+from . import cluster
+from . import descriptor
+from . import fit
+from . import loss
+from . import nvnmd
+from . import utils
+from .env import set_mkl
+from .infer import DeepEval
+from .infer import DeepPotential
+from .infer.data_modifier import DipoleChargeModifier
 
 set_mkl()
 
 try:
     from ._version import version as __version__
 except ImportError:
-    from .__about__ import (
-        __version__,
-    )
+    from .__about__ import __version__
 
 # load third-party plugins
 try:

deepmd/__main__.py

@@ -1,8 +1,6 @@
 """Package dp entry point."""
 
-from .entrypoints.main import (
-    main,
-)
+from .entrypoints.main import main
 
 if __name__ == "__main__":
     main()

deepmd/calculator.py

@@ -1,30 +1,20 @@
 """ASE calculator interface module."""
 
-from pathlib import (
-    Path,
-)
-from typing import (
-    TYPE_CHECKING,
-    Dict,
-    List,
-    Optional,
-    Union,
-)
-
-from ase.calculators.calculator import (
-    Calculator,
-    PropertyNotImplementedError,
-    all_changes,
-)
-
-from deepmd import (
-    DeepPotential,
-)
+from pathlib import Path
+from typing import TYPE_CHECKING
+from typing import Dict
+from typing import List
+from typing import Optional
+from typing import Union
+
+from ase.calculators.calculator import Calculator
+from ase.calculators.calculator import PropertyNotImplementedError
+from ase.calculators.calculator import all_changes
+
+from deepmd import DeepPotential
 
 if TYPE_CHECKING:
-    from ase import (
-        Atoms,
-    )
+    from ase import Atoms
 
 __all__ = ["DP"]
 

deepmd/cluster/__init__.py

@@ -1,11 +1,9 @@
 """Module that reads node resources, auto detects if running local or on SLURM."""
 
 import os
-from typing import (
-    List,
-    Optional,
-    Tuple,
-)
+from typing import List
+from typing import Optional
+from typing import Tuple
 
 from .local import get_resource as get_local_res
 from .slurm import get_resource as get_slurm_res

deepmd/cluster/local.py

@@ -3,15 +3,11 @@
 import socket
 import subprocess as sp
 import sys
-from typing import (
-    List,
-    Optional,
-    Tuple,
-)
-
-from deepmd.env import (
-    tf,
-)
+from typing import List
+from typing import Optional
+from typing import Tuple
+
+from deepmd.env import tf
 
 __all__ = ["get_gpus", "get_resource"]
 

deepmd/cluster/slurm.py

@@ -6,17 +6,13 @@
 """
 
 import os
-from typing import (
-    List,
-    Optional,
-    Tuple,
-)
+from typing import List
+from typing import Optional
+from typing import Tuple
 
 import hostlist
 
-from deepmd.cluster import (
-    local,
-)
+from deepmd.cluster import local
 
 __all__ = ["get_resource"]
 

deepmd/descriptor/__init__.py

@@ -1,34 +1,14 @@
-from .descriptor import (
-    Descriptor,
-)
-from .hybrid import (
-    DescrptHybrid,
-)
-from .loc_frame import (
-    DescrptLocFrame,
-)
-from .se_a import (
-    DescrptSeA,
-)
-from .se_a_ebd import (
-    DescrptSeAEbd,
-)
-from .se_a_ef import (
-    DescrptSeAEf,
-    DescrptSeAEfLower,
-)
-from .se_a_mask import (
-    DescrptSeAMask,
-)
-from .se_atten import (
-    DescrptSeAtten,
-)
-from .se_r import (
-    DescrptSeR,
-)
-from .se_t import (
-    DescrptSeT,
-)
+from .descriptor import Descriptor
+from .hybrid import DescrptHybrid
+from .loc_frame import DescrptLocFrame
+from .se_a import DescrptSeA
+from .se_a_ebd import DescrptSeAEbd
+from .se_a_ef import DescrptSeAEf
+from .se_a_ef import DescrptSeAEfLower
+from .se_a_mask import DescrptSeAMask
+from .se_atten import DescrptSeAtten
+from .se_r import DescrptSeR
+from .se_t import DescrptSeT
 
 __all__ = [
     "Descriptor",

deepmd/descriptor/descriptor.py

@@ -1,25 +1,17 @@
-from abc import (
-    abstractmethod,
-)
-from typing import (
-    Any,
-    Callable,
-    Dict,
-    List,
-    Optional,
-    Tuple,
-)
+from abc import abstractmethod
+from typing import Any
+from typing import Callable
+from typing import Dict
+from typing import List
+from typing import Optional
+from typing import Tuple
 
 import numpy as np
 
-from deepmd.env import (
-    GLOBAL_TF_FLOAT_PRECISION,
-    tf,
-)
-from deepmd.utils import (
-    Plugin,
-    PluginVariant,
-)
+from deepmd.env import GLOBAL_TF_FLOAT_PRECISION
+from deepmd.env import tf
+from deepmd.utils import Plugin
+from deepmd.utils import PluginVariant
 
 
 class Descriptor(PluginVariant):

deepmd/descriptor/hybrid.py

@@ -1,28 +1,20 @@
-from typing import (
-    List,
-    Optional,
-    Tuple,
-)
+from typing import List
+from typing import Optional
+from typing import Tuple
 
 import numpy as np
 
-from deepmd.env import (
-    GLOBAL_TF_FLOAT_PRECISION,
-    tf,
-)
-from deepmd.utils.spin import (
-    Spin,
-)
+from deepmd.env import GLOBAL_TF_FLOAT_PRECISION
+from deepmd.env import tf
+from deepmd.utils.spin import Spin
 
 # from deepmd.descriptor import DescrptLocFrame
 # from deepmd.descriptor import DescrptSeA
 # from deepmd.descriptor import DescrptSeT
 # from deepmd.descriptor import DescrptSeAEbd
 # from deepmd.descriptor import DescrptSeAEf
 # from deepmd.descriptor import DescrptSeR
-from .descriptor import (
-    Descriptor,
-)
+from .descriptor import Descriptor
 
 
 @Descriptor.register("hybrid")

deepmd/descriptor/loc_frame.py

@@ -1,28 +1,18 @@
-from typing import (
-    List,
-    Optional,
-    Tuple,
-)
+from typing import List
+from typing import Optional
+from typing import Tuple
 
 import numpy as np
 
-from deepmd.env import (
-    GLOBAL_NP_FLOAT_PRECISION,
-    GLOBAL_TF_FLOAT_PRECISION,
-    default_tf_session_config,
-    op_module,
-    tf,
-)
-from deepmd.utils.graph import (
-    get_tensor_by_name_from_graph,
-)
-from deepmd.utils.sess import (
-    run_sess,
-)
+from deepmd.env import GLOBAL_NP_FLOAT_PRECISION
+from deepmd.env import GLOBAL_TF_FLOAT_PRECISION
+from deepmd.env import default_tf_session_config
+from deepmd.env import op_module
+from deepmd.env import tf
+from deepmd.utils.graph import get_tensor_by_name_from_graph
+from deepmd.utils.sess import run_sess
 
-from .descriptor import (
-    Descriptor,
-)
+from .descriptor import Descriptor
 
 
 @Descriptor.register("loc_frame")