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

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

.clang-format

@@ -2,4 +2,3 @@
 BasedOnStyle: Google
 BinPackParameters: false
 InsertBraces: true
-...

.github/labeler.yml

@@ -1,38 +1,38 @@
-Python:
-- changed-files:
-  - any-glob-to-any-file:
-    - deepmd/**/*
-    - source/tests/**/*
-Docs:
-- changed-files:
-  - any-glob-to-any-file: doc/**/*
-Examples:
-- changed-files:
-  - any-glob-to-any-file: examples/**/*
-Core:
-- changed-files:
-  - any-glob-to-any-file: source/lib/**/*
-CUDA:
-- changed-files:
-  - any-glob-to-any-file: source/lib/src/gpu/**/*
-ROCM:
-- changed-files:
-  - any-glob-to-any-file: source/lib/src/gpu/**/*
-OP:
-- changed-files:
-  - any-glob-to-any-file: source/op/**/*
-C++:
-- changed-files:
-  - any-glob-to-any-file: source/api_cc/**/*
-C:
-- changed-files:
-  - any-glob-to-any-file: source/api_c/**/*
-LAMMPS:
-- changed-files:
-  - any-glob-to-any-file: source/lmp/**/*
-Gromacs:
-- changed-files:
-  - any-glob-to-any-file: source/gmx/**/*
-i-Pi:
-- changed-files:
-  - any-glob-to-any-file: source/ipi/**/*
+Python:
+  - changed-files:
+      - any-glob-to-any-file:
+          - deepmd/**/*
+          - source/tests/**/*
+Docs:
+  - changed-files:
+      - any-glob-to-any-file: doc/**/*
+Examples:
+  - changed-files:
+      - any-glob-to-any-file: examples/**/*
+Core:
+  - changed-files:
+      - any-glob-to-any-file: source/lib/**/*
+CUDA:
+  - changed-files:
+      - any-glob-to-any-file: source/lib/src/gpu/**/*
+ROCM:
+  - changed-files:
+      - any-glob-to-any-file: source/lib/src/gpu/**/*
+OP:
+  - changed-files:
+      - any-glob-to-any-file: source/op/**/*
+C++:
+  - changed-files:
+      - any-glob-to-any-file: source/api_cc/**/*
+C:
+  - changed-files:
+      - any-glob-to-any-file: source/api_c/**/*
+LAMMPS:
+  - changed-files:
+      - any-glob-to-any-file: source/lmp/**/*
+Gromacs:
+  - changed-files:
+      - any-glob-to-any-file: source/gmx/**/*
+i-Pi:
+  - changed-files:
+      - any-glob-to-any-file: source/ipi/**/*

.pre-commit-config.yaml

@@ -1,121 +1,121 @@
 # See https://pre-commit.com for more information
 # See https://pre-commit.com/hooks.html for more hooks
 repos:
--   repo: https://github.com/pre-commit/pre-commit-hooks
+  - repo: https://github.com/pre-commit/pre-commit-hooks
     rev: v4.5.0
     hooks:
-    -   id: trailing-whitespace
+      - id: trailing-whitespace
         exclude: "^.+\\.pbtxt$"
-    -   id: end-of-file-fixer
+      - id: end-of-file-fixer
         exclude: "^.+\\.pbtxt$"
-    -   id: check-yaml
-    -   id: check-json
-    -   id: check-added-large-files
-        args: ['--maxkb=1024', '--enforce-all']
+      - id: check-yaml
+      - id: check-json
+      - id: check-added-large-files
+        args: ["--maxkb=1024", "--enforce-all"]
         exclude: |
-            (?x)^(
-                source/tests/infer/dipolecharge_e.pbtxt|
-                source/tests/infer/deeppolar_new.pbtxt
-            )$
-    -   id: check-merge-conflict
-    -   id: check-symlinks
-    -   id: check-toml
-# Python
--   repo: https://github.com/PyCQA/isort
+          (?x)^(
+              source/tests/infer/dipolecharge_e.pbtxt|
+              source/tests/infer/deeppolar_new.pbtxt
+          )$
+      - id: check-merge-conflict
+      - id: check-symlinks
+      - id: check-toml
+  # Python
+  - repo: https://github.com/PyCQA/isort
     rev: 5.13.2
     hooks:
-    - id: isort
-      files: \.py$
-      exclude: ^source/3rdparty
--   repo: https://github.com/astral-sh/ruff-pre-commit
+      - id: isort
+        files: \.py$
+        exclude: ^source/3rdparty
+  - repo: https://github.com/astral-sh/ruff-pre-commit
     # Ruff version.
     rev: v0.3.3
     hooks:
-    - id: ruff
-      args: ["--fix"]
-      exclude: ^source/3rdparty
-      types_or: [python, pyi, jupyter]
-    - id: ruff-format
-      exclude: ^source/3rdparty
-      types_or: [python, pyi, jupyter]
-# numpydoc
--   repo: https://github.com/Carreau/velin
+      - id: ruff
+        args: ["--fix"]
+        exclude: ^source/3rdparty
+        types_or: [python, pyi, jupyter]
+      - id: ruff-format
+        exclude: ^source/3rdparty
+        types_or: [python, pyi, jupyter]
+  # numpydoc
+  - repo: https://github.com/Carreau/velin
     rev: 0.0.12
     hooks:
-    - id: velin
-      args: ["--write"]
-      exclude: ^source/3rdparty
-# Python inside docs
--   repo: https://github.com/asottile/blacken-docs
+      - id: velin
+        args: ["--write"]
+        exclude: ^source/3rdparty
+  # Python inside docs
+  - repo: https://github.com/asottile/blacken-docs
     rev: 1.16.0
     hooks:
-    -   id: blacken-docs
-# C++
--   repo: https://github.com/pre-commit/mirrors-clang-format
+      - id: blacken-docs
+  # C++
+  - repo: https://github.com/pre-commit/mirrors-clang-format
     rev: v18.1.1
     hooks:
-    -   id: clang-format
+      - id: clang-format
         exclude: ^source/3rdparty|source/lib/src/gpu/cudart/.+\.inc
-# markdown, json, yaml, CSS, javascript
--   repo: https://github.com/pre-commit/mirrors-prettier
+  # markdown, json, yaml, CSS, javascript
+  - repo: https://github.com/pre-commit/mirrors-prettier
     rev: v4.0.0-alpha.8
     hooks:
-    -   id: prettier
+      - id: prettier
         types_or: [markdown, json, yaml, css, javascript]
         # workflow files cannot be modified by pre-commit.ci
         exclude: ^source/3rdparty|.github/workflows
-# Shell
-- repo: https://github.com/scop/pre-commit-shfmt
-  rev: v3.8.0-1
-  hooks:
-    - id: shfmt
-# CMake
-- repo: https://github.com/cheshirekow/cmake-format-precommit
-  rev: v0.6.13
-  hooks:
-    - id: cmake-format
-    #- id: cmake-lint
-# license header
-- repo: https://github.com/Lucas-C/pre-commit-hooks
-  rev: v1.5.5
-  hooks:
-    # C++, js
-    -   id: insert-license
+  # Shell
+  - repo: https://github.com/scop/pre-commit-shfmt
+    rev: v3.8.0-1
+    hooks:
+      - id: shfmt
+  # CMake
+  - repo: https://github.com/cheshirekow/cmake-format-precommit
+    rev: v0.6.13
+    hooks:
+      - id: cmake-format
+      #- id: cmake-lint
+  # license header
+  - repo: https://github.com/Lucas-C/pre-commit-hooks
+    rev: v1.5.5
+    hooks:
+      # C++, js
+      - id: insert-license
         files: \.(c|cc|cpp|js|ts|h|hpp)$
         args:
-        - --license-filepath
-        - .license-header.txt
-        - --comment-style
-        - //
-        - --no-extra-eol
+          - --license-filepath
+          - .license-header.txt
+          - --comment-style
+          - //
+          - --no-extra-eol
         exclude: ^source/3rdparty|source/lib/src/gpu/cudart/.+\.inc
-    # CSS
-    -   id: insert-license
+      # CSS
+      - id: insert-license
         files: \.(css|scss)$
         args:
-        - --license-filepath
-        - .license-header.txt
-        - --comment-style
-        - /*| *| */
-        - --no-extra-eol
-    # Python
-    -   id: insert-license
+          - --license-filepath
+          - .license-header.txt
+          - --comment-style
+          - /*| *| */
+          - --no-extra-eol
+      # Python
+      - id: insert-license
         files: \.(py|pyx)$
         args:
-        - --license-filepath
-        - .license-header.txt
-        - --comment-style
-        - "#"
-        - --no-extra-eol
+          - --license-filepath
+          - .license-header.txt
+          - --comment-style
+          - "#"
+          - --no-extra-eol
         exclude: ^source/3rdparty
-    # HTML
-    -   id: insert-license
+      # HTML
+      - id: insert-license
         files: \.(html|vue|xml)$
         args:
-        - --license-filepath
-        - .license-header.txt
-        - --comment-style
-        - <!--|  ~|  -->
-        - --no-extra-eol
+          - --license-filepath
+          - .license-header.txt
+          - --comment-style
+          - <!--|  ~|  -->
+          - --no-extra-eol
 ci:
   autoupdate_branch: devel