Ruff format

.pre-commit-config.yaml

@@ -1,7 +1,7 @@
 exclude: 'iodata/test/data/.*'
 repos:
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v4.5.0
+  rev: v4.6.0
   hooks:
     - id: check-added-large-files
     - id: check-ast
@@ -26,6 +26,10 @@ repos:
   hooks:
     - id: remove-crlf
 - repo: https://github.com/python-jsonschema/check-jsonschema
-  rev: 0.28.1
+  rev: 0.28.3
   hooks:
     - id: check-github-workflows
+- repo: https://github.com/astral-sh/ruff-pre-commit
+  rev: v0.4.4
+  hooks:
+    - id: ruff-format

doc/conf.py

@@ -19,7 +19,6 @@
 # pylint: disable=unused-argument,redefined-builtin
 """Sphinxdoc configuration file."""
 
-
 import os
 import subprocess
 
@@ -30,23 +29,23 @@
 # An in-place build can also work, provided the necessary environment variables
 # are set accordingly.
 
-on_rtd = os.environ.get('READTHEDOCS', None) == 'True'
+on_rtd = os.environ.get("READTHEDOCS", None) == "True"
 if on_rtd:
-    subprocess.run(['python', '-m', 'pip', 'install', '..'], check=True)
-    subprocess.run(['./gen_docs.sh'], shell=True, check=True)
+    subprocess.run(["python", "-m", "pip", "install", ".."], check=True)
+    subprocess.run(["./gen_docs.sh"], shell=True, check=True)
 
 # Custom sidebar templates, must be a dictionary that maps document names
 # to template names.
 #
 # This is required for the alabaster theme
 # refs: http://alabaster.readthedocs.io/en/latest/installation.html#sidebars
 html_sidebars = {
-    '**': [
-        'about.html',
-        'navigation.html',
-        'relations.html',  # needs 'show_related': True theme option to display
-        'searchbox.html',
-        'donate.html',
+    "**": [
+        "about.html",
+        "navigation.html",
+        "relations.html",  # needs 'show_related': True theme option to display
+        "searchbox.html",
+        "donate.html",
     ]
 }
 
@@ -62,42 +61,42 @@
 # extensions coming with Sphinx (named 'sphinx.ext.*') or your custom
 # ones.
 extensions = [
-    'sphinx.ext.autodoc',
-    'sphinx.ext.doctest',
-    'sphinx.ext.intersphinx',
-    'sphinx.ext.coverage',
-    'sphinx.ext.mathjax',
-    'sphinx.ext.viewcode',
-    'sphinx.ext.napoleon',
-    'sphinx_autodoc_typehints',
+    "sphinx.ext.autodoc",
+    "sphinx.ext.doctest",
+    "sphinx.ext.intersphinx",
+    "sphinx.ext.coverage",
+    "sphinx.ext.mathjax",
+    "sphinx.ext.viewcode",
+    "sphinx.ext.napoleon",
+    "sphinx_autodoc_typehints",
 ]
 
 
 # Add any paths that contain templates here, relative to this directory.
-templates_path = ['_templates']
+templates_path = ["_templates"]
 
 # The suffix(es) of source filenames.
 # You can specify multiple suffix as a list of string:
 #
 # source_suffix = ['.rst', '.md']
-source_suffix = '.rst'
+source_suffix = ".rst"
 
 # The master toctree document.
-master_doc = 'index'
+master_doc = "index"
 
 # General information about the project.
-project = 'IOData'
-copyright = '2019, The IODATA Development Team'
-author = 'The IODATA Development Team'
+project = "IOData"
+copyright = "2019, The IODATA Development Team"
+author = "The IODATA Development Team"
 
 # The version info for the project yo're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
 # built documents.
 #
 # The short X.Y version.
-version = ''
+version = ""
 # The full version, including alpha/beta/rc tags.
-release = ''
+release = ""
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.
@@ -109,10 +108,10 @@
 # List of patterns, relative to source directory, that match files and
 # directories to ignore when looking for source files.
 # This patterns also effect to html_static_path and html_extra_path
-exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store']
+exclude_patterns = ["_build", "Thumbs.db", ".DS_Store"]
 
 # The name of the Pygments (syntax highlighting) style to use.
-pygments_style = 'sphinx'
+pygments_style = "sphinx"
 
 # If true, `todo` and `todoList` produce output, else they produce nothing.
 todo_include_todos = False
@@ -122,7 +121,7 @@
 # The theme to use for HTML and HTML Help pages.  See the documentation for
 # a list of builtin themes.
 #
-html_theme = 'sphinx_rtd_theme'
+html_theme = "sphinx_rtd_theme"
 
 # Theme options are theme-specific and customize the look and feel of a theme
 # further.  For a list of options available for each theme, see the
@@ -133,30 +132,27 @@
 # Add any paths that contain custom static files (such as style sheets) here,
 # relative to this directory. They are copied after the builtin static files,
 # so a file named "default.css" will overwrite the builtin "default.css".
-html_static_path = ['_static']
-html_style = 'css/override.css'
+html_static_path = ["_static"]
+html_style = "css/override.css"
 
 
 # -- Options for HTMLHelp output ------------------------------------------
 
 # Output file base name for HTML help builder.
-htmlhelp_basename = 'IODatadoc'
+htmlhelp_basename = "IODatadoc"
 
 # -- Options for LaTeX output ---------------------------------------------
 
 latex_elements = {
     # The paper size ('letterpaper' or 'a4paper').
     #
     # 'papersize': 'letterpaper',
-
     # The font size ('10pt', '11pt' or '12pt').
     #
     # 'pointsize': '10pt',
-
     # Additional stuff for the LaTeX preamble.
     #
     # 'preamble': '',
-
     # Latex figure (float) alignment
     #
     # 'figure_align': 'htbp',
@@ -166,28 +162,30 @@
 # (source start file, target name, title,
 #  author, documentclass [howto, manual, or own class]).
 latex_documents = [
-    (master_doc, 'IOData.tex', 'IOData Documentation',
-     'The HORTON Developers', 'manual'),
+    (master_doc, "IOData.tex", "IOData Documentation", "The HORTON Developers", "manual"),
 ]
 
 # -- Options for manual page output ---------------------------------------
 
 # One entry per manual page. List of tuples
 # (source start file, name, description, authors, manual section).
-man_pages = [
-    (master_doc, 'iodata', 'IOData Documentation',
-     [author], 1)
-]
+man_pages = [(master_doc, "iodata", "IOData Documentation", [author], 1)]
 
 # -- Options for Texinfo output -------------------------------------------
 
 # Grouping the document tree into Texinfo files. List of tuples
 # (source start file, target name, title, author,
 #  dir menu entry, description, category)
 texinfo_documents = [
-    (master_doc, 'IOData', 'IOData Documentation',
-     author, 'IOData', 'One line description of project.',
-     'Miscellaneous'),
+    (
+        master_doc,
+        "IOData",
+        "IOData Documentation",
+        author,
+        "IOData",
+        "One line description of project.",
+        "Miscellaneous",
+    ),
 ]
 
 # -- Options for Epub output ----------------------------------------------
@@ -208,20 +206,20 @@
 # epub_uid = ''
 
 # A list of files that should not be packed into the epub file.
-epub_exclude_files = ['search.html']
+epub_exclude_files = ["search.html"]
 
 # Example configuration for intersphinx: refer to the Python standard library.
-intersphinx_mapping = {'https://docs.python.org/': None}
+intersphinx_mapping = {"https://docs.python.org/": None}
 
 
 # -- Configuration for autodoc extensions ---------------------------------
 
 autodoc_default_options = {
-    'undoc-members': True,
-    'show-inheritance': True,
-    'members': None,
-    'inherited-members': True,
-    'ignore-module-all': True,
+    "undoc-members": True,
+    "show-inheritance": True,
+    "members": None,
+    "inherited-members": True,
+    "ignore-module-all": True,
 }
 
 
@@ -243,22 +241,24 @@ def setup(app):
 # -- Configuration of mathjax extension -----------------------------------
 
 mathjax_config = {
-    'extensions': ['fast-preview.js'],
+    "extensions": ["fast-preview.js"],
     # TeX: {
     #     Macros: {
     #       RR: '{\\bf R}',
     #       bold: ['{\\bf #1}', 1]
     #     }
     #   }
-    'TeX': {
-        'Macros': {
-            'ket': ["{\\left\\vert { #1 } \\right\\rangle}", 1],
-            'bra': ["{\\left\\langle { #1} \\right\\vert}", 1],
-            'braket': ["{\\left\\langle {#1} \\mid { #2} \\right\\rangle}", 2],
-            'ketbra': ["{\\left\\vert { #1 } \\right\\rangle\\left\\langle { #2} \\right\\vert}",
-                       2],
-            'ev': ["{\\left\\langle {#2} \\vert {#1} \\vert {#2} \\right\\rangle}", 2],
-            'mel': ["{\\left\\langle{ #1 }\\right\\vert{ #2 }\\left\\vert{#3}\\right\\rangle}", 3]
+    "TeX": {
+        "Macros": {
+            "ket": ["{\\left\\vert { #1 } \\right\\rangle}", 1],
+            "bra": ["{\\left\\langle { #1} \\right\\vert}", 1],
+            "braket": ["{\\left\\langle {#1} \\mid { #2} \\right\\rangle}", 2],
+            "ketbra": [
+                "{\\left\\vert { #1 } \\right\\rangle\\left\\langle { #2} \\right\\vert}",
+                2,
+            ],
+            "ev": ["{\\left\\langle {#2} \\vert {#1} \\vert {#2} \\right\\rangle}", 2],
+            "mel": ["{\\left\\langle{ #1 }\\right\\vert{ #2 }\\left\\vert{#3}\\right\\rangle}", 3],
         }
     },
 }

doc/gen_formats.py

@@ -40,7 +40,7 @@
 
 
 def _format_words(words):
-    return ', '.join('``{}``'.format(word) for word in words)
+    return ", ".join("``{}``".format(word) for word in words)
 
 
 def _print_section(title, linechar):
@@ -61,11 +61,11 @@ def main():
                 break
         if skip:
             continue
-        lines = module.__doc__.split('\n')
+        lines = module.__doc__.split("\n")
         # add labels for cross-referencing format (e.g. in formats table)
         print(f".. _format_{modname}:")
         print()
-        _print_section('{} (``{}``)'.format(lines[0][:-1], modname), "=")
+        _print_section("{} (``{}``)".format(lines[0][:-1], modname), "=")
         print()
         for line in lines[2:]:
             print(line)
@@ -95,5 +95,5 @@ def main():
         print()
 
 
-if __name__ == '__main__':
+if __name__ == "__main__":
     main()

doc/gen_formats_tab.py

@@ -20,7 +20,6 @@
 # pylint: disable=unused-argument,redefined-builtin
 """Generate formats.rst."""
 
-
 from collections import defaultdict
 import inspect
 
@@ -86,13 +85,12 @@ def generate_table_rst():
         table with rows of each property and columns of each format
 
     """
-    fmt_names, has_load, guaranteed, ifpresent, has_dump, required, optional = \
+    fmt_names, has_load, guaranteed, ifpresent, has_dump, required, optional = (
         _generate_all_format_parser()
+    )
 
     # Sort rows by number of times the attribute is used in decreasing order.
-    rows = sorted(
-        attr_name for attr_name in dir(iodata.IOData)
-        if not attr_name.startswith('_'))
+    rows = sorted(attr_name for attr_name in dir(iodata.IOData) if not attr_name.startswith("_"))
 
     # Order columns based on number of guaranteed and ifpresent entries for each format.
     # Also keep track of which format has a load_one and dump_one function.
@@ -106,10 +104,9 @@ def generate_table_rst():
     # Construct header with cross-referencing columns.
     header = ["Attribute"]
     for fmt_name in cols:
-        col_name = f':ref:`{fmt_name} <format_{fmt_name}>`'
+        col_name = f":ref:`{fmt_name} <format_{fmt_name}>`"
         col_name += ": {}{}".format(
-            "L" if fmt_name in has_load else "",
-            "D" if fmt_name in has_dump else ""
+            "L" if fmt_name in has_load else "", "D" if fmt_name in has_dump else ""
         )
         header.append(col_name)
     table = [header]

doc/gen_inputs.py

@@ -20,7 +20,6 @@
 # pylint: disable=unused-argument,redefined-builtin
 """Generate formats.rst."""
 
-
 from gen_formats import _format_words, _print_section
 from iodata.api import INPUT_MODULES
 
@@ -54,11 +53,11 @@ def main():
     for modname, module in sorted(INPUT_MODULES.items()):
         if not hasattr(module, "write_input"):
             continue
-        lines = module.__doc__.split('\n')
+        lines = module.__doc__.split("\n")
         # add labels for cross-referencing format (e.g. in formats table)
         print(f".. _input_{modname}:")
         print()
-        _print_section('{} (``{}``)'.format(lines[0][:-1], modname), "=")
+        _print_section("{} (``{}``)".format(lines[0][:-1], modname), "=")
         print()
         for line in lines[2:]:
             print(line)
@@ -82,5 +81,5 @@ def main():
         print()
 
 
-if __name__ == '__main__':
+if __name__ == "__main__":
     main()

iodata/__init__.py

@@ -18,7 +18,6 @@
 # --
 """Input and Output Module."""
 
-
 try:
     from ._version import __version__
 except ImportError: