chore: enhance pre-commit configuration with additional hooks for rob…

.github/release-drafter.yml

@@ -39,4 +39,4 @@ version-resolver:
       - 'security'
 
 exclude-labels:
-  - 'skip-changelog'
+  - 'skip-changelog'

.github/workflows/check-pr-title.yml

@@ -15,4 +15,4 @@ jobs:
     steps:
       - uses: amannn/action-semantic-pull-request@v6
         env:
-          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+          GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}

.github/workflows/pr-auto-label.yml

@@ -47,7 +47,7 @@ jobs:
             // 检查第一个单词或前缀是否匹配关键词
             for (const word of words) {
               const normalizedWord = word.toLowerCase().replace(/^[\W_]+|[\W_]+$/g, '');
-              
+
               if (keywordMap.hasOwnProperty(normalizedWord)) {
                 labelsToAdd.add(keywordMap[normalizedWord]);
                 break; // 找到第一个匹配就停止
@@ -79,4 +79,4 @@ jobs:
                 labels: labelsArray
               });
               console.log('New labels added successfully');
-            }
+            }

.pre-commit-config.yaml

@@ -3,5 +3,60 @@ repos:
     rev: v6.0.0  # Use the ref you want to point at
     hooks:
       - id: check-added-large-files
-#      - id: trailing-whitespace
-#      - id: check-yaml
+      - id: check-ast
+      - id: check-builtin-literals
+      - id: check-case-conflict
+      - id: check-docstring-first
+      - id: check-executables-have-shebangs
+      - id: check-illegal-windows-names
+      - id: check-json
+      - id: check-shebang-scripts-are-executable
+        exclude: |
+          (?x)^(
+            gvasp/slurm.submit|
+            tests/module/gzy.vtst.conTS.submit|
+            tests/submit.script|
+            auto_conda.sh|
+            gvasp/gvasp-bash-completion.sh
+          )$
+      - id: pretty-format-json
+        args: [ --autofix ]
+      - id: check-merge-conflict
+      - id: check-symlinks
+      - id: check-toml
+      - id: check-vcs-permalinks
+      - id: check-xml
+      - id: check-yaml
+        exclude: |
+          (?x)^(
+            conda/meta.yaml
+          )$
+      - id: debug-statements
+      - id: destroyed-symlinks
+      - id: detect-aws-credentials
+        args: [ --allow-missing-credentials ]
+      - id: detect-private-key
+      - id: double-quote-string-fixer
+      - id: end-of-file-fixer
+      - id: file-contents-sorter
+      - id: fix-byte-order-marker
+      - id: forbid-new-submodules
+      - id: forbid-submodules
+      - id: mixed-line-ending
+      - id: name-tests-test
+        args: [ --pytest-test-first ]
+        exclude: |
+          (?x)^(
+            tests/modify_config.py|
+            tests/add_font.py|
+            tests/plot_center/dos_plot.py|
+            tests/utils.py
+          )$
+      - id: no-commit-to-branch
+      - id: requirements-txt-fixer
+      - id: sort-simple-yaml
+      - id: trailing-whitespace
+  - repo: https://github.com/asottile/pyupgrade
+    rev: v3.20.0
+    hooks:
+      - id: pyupgrade

.readthedocs.yaml

@@ -29,4 +29,4 @@ python:
   install:
     - requirements: requirements.txt
     # - method: setuptools
-    #   path: .
+    #   path: .

docs/source/conf.py

@@ -31,26 +31,26 @@
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.
 extensions = [
-    'sphinx.ext.autodoc', 
-    'sphinx.ext.viewcode', 
-    'myst_parser', 
+    'sphinx.ext.autodoc',
+    'sphinx.ext.viewcode',
+    'myst_parser',
     'sphinxcontrib.inkscapeconverter',
     'sphinxcontrib.jquery']
 
 myst_enable_extensions = [
-    "amsmath",
-    "colon_fence",
-    "deflist",
-    "dollarmath",
-    "fieldlist",
-    "html_admonition",
-    "html_image",
-    "linkify",
-    "replacements",
-    "smartquotes",
-    "strikethrough",
-    "substitution",
-    "tasklist",
+    'amsmath',
+    'colon_fence',
+    'deflist',
+    'dollarmath',
+    'fieldlist',
+    'html_admonition',
+    'html_image',
+    'linkify',
+    'replacements',
+    'smartquotes',
+    'strikethrough',
+    'substitution',
+    'tasklist',
 ]
 
 # Add any paths that contain templates here, relative to this directory.
@@ -82,4 +82,4 @@
 latex_elements = {
     'preamble': '\\usepackage[UTF8]{ctex}\n',
     'extraclassoptions': 'openany,oneside',
-}
+}

docs/source/development.rst

@@ -19,4 +19,4 @@
    development/migration.md
    development/sphinx.md
    development/codecov.md
-   development/bug.md
+   development/bug.md

docs/source/development/MANIFEST.in

@@ -1 +1 @@
-recursive-include gvasp/pot POTCAR *.bindat
+recursive-include gvasp/pot POTCAR *.bindat

docs/source/development/migration.md

@@ -4,4 +4,4 @@
 
 ```bash
 conda pack -n gvasp -o gvasp.tar.gz
-```
+```

docs/source/development/mirror.rst

@@ -14,12 +14,12 @@ The conda tool can modify its original mirrors by modify the :file:`~/.condrc`,
     - http://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/r
     - http://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/msys2
 
-Pip Mirror 
+Pip Mirror
 -----------
 
 The pip tool can modify its original mirrors by add a :file:`~/.pip/pip.conf`, for example:
 
 .. code-block:: bash
-    
+
     [global]
-    index-url = https://mirrors.aliyun.com/pypi/simple
+    index-url = https://mirrors.aliyun.com/pypi/simple

docs/source/development/package.rst

@@ -221,4 +221,4 @@ Install package can do this:
 
     conda install package
 
-重新安装同版本的包时，加入参数 :code:`--force-reinstall` 
+重新安装同版本的包时，加入参数 :code:`--force-reinstall`

docs/source/development/version.md

@@ -25,13 +25,13 @@ pip install bumpversion
 [bumpversion]
 current_version = 0.1.4
 parse = (?P<major>\d+)\.(?P<minor>\d+)\.(?P<patch>\d+)(\.(?P<release>.*))?
-serialize = 
+serialize =
 	{major}.{minor}.{patch}.{release}
 	{major}.{minor}.{patch}
 
 [bumpversion:part:release]
 optional_value = gamma
-values = 
+values =
 	alpha
 	beta
 	gamma

docs/source/game.rst

@@ -7,4 +7,4 @@
    :maxdepth: 1
    :caption: 目录
 
-   game/dst.md
+   game/dst.md

docs/source/language.rst

@@ -11,4 +11,4 @@
    language/vi.md
    language/powershell.md
    language/python.rst
-   language/go.md
+   language/go.md

docs/source/language/python.rst

@@ -9,4 +9,4 @@ Python 教程
 
    matplotlib.md
    pyquery.md
-   pytest.md
+   pytest.md

docs/source/math.md

@@ -32,8 +32,8 @@ $$
 M &= e^{\tilde{w}θ} \\
   &= I + \tilde{w}sinθ+\tilde{w}^2(1-cosθ) \\
   &= \begin{bmatrix}
-      cosθ+w_x^2(1-cosθ) & w_xw_y(1-cosθ)-w_zsinθ & w_ysinθ+w_xw_z(1-cosθ) \\ 
-      w_zsinθ+w_xw_y(1-cosθ) & cosθ+w_y^2(1-cosθ) & w_yw_z(1-cosθ)-w_xsinθ \\ 
+      cosθ+w_x^2(1-cosθ) & w_xw_y(1-cosθ)-w_zsinθ & w_ysinθ+w_xw_z(1-cosθ) \\
+      w_zsinθ+w_xw_y(1-cosθ) & cosθ+w_y^2(1-cosθ) & w_yw_z(1-cosθ)-w_xsinθ \\
       w_xw_z(1-cosθ)-w_ysinθ & w_xsinθ+w_yw_z(1-cosθ) & cosθ+w_z^2(1-cosθ)
      \end{bmatrix}
 \end{aligned}

docs/source/others.rst

@@ -8,4 +8,4 @@
    others/qbittorrent.md
    others/telegram.md
    others/win.md
-   others/mac.md
+   others/mac.md

requirements.txt

@@ -1,4 +1,4 @@
 myst-parser
 myst-parser[linkify]
 sphinx_rtd_theme
-sphinxcontrib-svg2pdfconverter
+sphinxcontrib-svg2pdfconverter