revert code formatting

.pre-commit-config.yaml

@@ -1,49 +1,67 @@
+# See https://pre-commit.com for more information
+# See https://pre-commit.com/hooks.html for more hooks
 repos:
-  - repo: https://github.com/PyCQA/isort
-    rev: 5.11.5
+-   repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v4.4.0
     hooks:
-      - id: isort
-        args: ["--multi-line=7", "--sl"]
-
-  - repo: https://github.com/psf/black
-    rev: 22.3.0
+    -   id: trailing-whitespace
+        exclude: "^.+\\.pbtxt$"
+    -   id: end-of-file-fixer
+        exclude: "^.+\\.pbtxt$"
+    -   id: check-yaml
+    #-   id: check-json
+    -   id: check-added-large-files
+    -   id: check-merge-conflict
+    -   id: check-symlinks
+    -   id: check-toml
+# Python
+-   repo: https://github.com/psf/black
+    rev: 23.3.0
     hooks:
-      - id: black
-
-#   - repo: https://github.com/charliermarsh/ruff-pre-commit
-#     rev: 'v0.0.272'
-#     hooks:
-#       - id: ruff
-
-  - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: a11d9314b22d8f8c7556443875b731ef05965464
+    -   id: black-jupyter
+-   repo: https://github.com/PyCQA/isort
+    rev: 5.12.0
+    hooks:
+    - id: isort
+      files: \.py$
+-   repo: https://github.com/charliermarsh/ruff-pre-commit
+    # Ruff version.
+    rev: v0.0.269
+    hooks:
+    - id: ruff
+      args: ["--fix"]
+# numpydoc
+-   repo: https://github.com/Carreau/velin
+    rev: 0.0.12
+    hooks:
+    - id: velin
+      args: ["--write"]
+# Python inside docs
+-   repo: https://github.com/asottile/blacken-docs
+    rev: 1.13.0
     hooks:
-      - id: check-merge-conflict
-      - id: check-symlinks
-      - id: detect-private-key
-        files: (?!.*paddle)^.*$
-      - id: end-of-file-fixer
-        files: \.md$
-      - id: trailing-whitespace
-        files: \.md$
-
-  - repo: https://github.com/Lucas-C/pre-commit-hooks
-    rev: v1.0.1
+    -   id: blacken-docs
+# C++
+-   repo: https://github.com/pre-commit/mirrors-clang-format
+    rev: v16.0.4
     hooks:
-      - id: forbid-crlf
-        files: \.md$
-      - id: remove-crlf
-        files: \.md$
-      - id: forbid-tabs
-        files: \.md$
-      - id: remove-tabs
-        files: \.md$
-
-#   - repo: local
+    -   id: clang-format
+        exclude: ^source/3rdparty|source/lib/src/cuda/cudart/.+\.inc
+# CSS
+# -   repo: https://github.com/pre-commit/mirrors-csslint
+#     rev: v1.0.5
 #     hooks:
-#       - id: clang-format
-#         name: clang-format
-#         description: Format files with ClangFormat
-#         entry: bash .clang_format.hook -i
-#         language: system
-#         files: \.(c|cc|cxx|cpp|cu|h|hpp|hxx|cuh|proto)$
+#     -   id: csslint
+# Shell
+- repo: https://github.com/scop/pre-commit-shfmt
+  rev: v3.6.0-2
+  hooks:
+    - id: shfmt
+# CMake
+- repo: https://github.com/cheshirekow/cmake-format-precommit
+  rev: v0.6.13
+  hooks:
+    - id: cmake-format
+    #- id: cmake-lint
+ci:
+  autoupdate_branch: devel

backend/dp_backend.py

@@ -1,7 +1,11 @@
 """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

@@ -1,15 +1,27 @@
 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
-from typing import Optional
-from typing import Tuple
-from typing import 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,
+    Optional,
+    Tuple,
+    Union,
+)
+
+from packaging.specifiers import (
+    SpecifierSet,
+)
 
 
 def find_tensorflow() -> Tuple[Optional[str], List[str]]:

data/json/json2yaml.py

@@ -2,8 +2,12 @@
 
 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

@@ -1,29 +1,41 @@
 """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
-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
+from . import (
+    cluster,
+    descriptor,
+    fit,
+    loss,
+    nvnmd,
+    utils,
+)
+from .env import (
+    set_mkl,
+)
+from .infer import (
+    DeepEval,
+    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

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

deepmd/calculator.py

@@ -1,20 +1,30 @@
 """ASE calculator interface module."""
 
-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
+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,
+)
 
 if TYPE_CHECKING:
-    from ase import Atoms
+    from ase import (
+        Atoms,
+    )
 
 __all__ = ["DP"]
 

deepmd/cluster/__init__.py

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

deepmd/cluster/local.py

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

deepmd/cluster/slurm.py

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