Pre-commit: Switch to ruff for linting and formatting

.github/workflows/validate_release_tag.py

@@ -17,8 +17,11 @@ def get_version_from_module(content: str) -> str:
 
     try:
         return next(
-            ast.literal_eval(statement.value) for statement in module.body if isinstance(statement, ast.Assign)
-            for target in statement.targets if isinstance(target, ast.Name) and target.id == '__version__'
+            ast.literal_eval(statement.value)
+            for statement in module.body
+            if isinstance(statement, ast.Assign)
+            for target in statement.targets
+            if isinstance(target, ast.Name) and target.id == '__version__'
         )
     except StopIteration as exception:
         raise IOError('Unable to find the `__version__` attribute in the module.') from exception

.pre-commit-config.yaml

@@ -13,36 +13,14 @@ repos:
     hooks:
     -   id: flynt
 
--   repo: https://github.com/pycqa/isort
-    rev: '5.12.0'
-    hooks:
-    -   id: isort
-
--   repo: https://github.com/pre-commit/mirrors-yapf
-    rev: 'v0.32.0'
-    hooks:
-    -   id: yapf
-        name: yapf
-        types: [python]
-        args: ['-i']
-        additional_dependencies: ['toml']
-        exclude: &exclude_files >
-            (?x)^(
-                docs/.*|
-            )$
-
--   repo: https://github.com/PyCQA/pydocstyle
-    rev: '6.1.1'
-    hooks:
-    -   id: pydocstyle
-        additional_dependencies: ['toml']
-        exclude: *exclude_files
-
--   repo: local
-    hooks:
-    -   id: pylint
-        name: pylint
-        entry: pylint
-        types: [python]
-        language: system
-        exclude: *exclude_files
+- repo: https://github.com/astral-sh/ruff-pre-commit
+  rev: v0.1.9
+  hooks:
+  - id: ruff-format
+    exclude: &exclude_files >
+      (?x)^(
+        docs/.*|
+      )$
+  - id: ruff
+    args: [--fix, --exit-non-zero-on-fix, --show-fixes]
+    exclude: *exclude_files

pyproject.toml

@@ -44,8 +44,6 @@ docs = [
 ]
 pre-commit = [
     'pre-commit~=2.2',
-    'pylint==2.15.5',
-    'pylint-aiida~=0.1',
 ]
 tests = [
     'pgtest~=1.3',
@@ -84,32 +82,6 @@ exclude = [
 line-length = 120
 fail-on-change = true
 
-[tool.isort]
-force_sort_within_sections = true
-include_trailing_comma = true
-line_length = 120
-multi_line_output = 3
-
-[tool.pydocstyle]
-ignore = [
-    'D104',
-    'D202',
-    'D203',
-    'D213'
-]
-
-[tool.pylint.master]
-load-plugins = ['pylint_aiida']
-
-[tool.pylint.format]
-max-line-length = 120
-
-[tool.pylint.messages_control]
-disable = [
-    'duplicate-code',
-    'import-outside-toplevel',
-    'too-many-arguments',
-]
 
 [tool.pytest.ini_options]
 filterwarnings = [
@@ -120,11 +92,29 @@ testpaths = [
     'tests',
 ]
 
-[tool.yapf]
-align_closing_bracket_with_visual_indent = true
-based_on_style = 'google'
-coalesce_brackets = true
-column_limit = 120
-dedent_closing_brackets = true
-indent_dictionary_value = false
-split_arguments_when_comma_terminated = true
+[tool.ruff]
+ignore = [
+  'F403',  # Star imports unable to detect undefined names
+  'F405',  # Import may be undefined or defined from star imports
+  'PLR0911',  # Too many return statements
+  'PLR0912',  # Too many branches
+  'PLR0913',  # Too many arguments in function definition
+  'PLR0915',  # Too many statements
+  'PLR2004'  # Magic value used in comparison
+]
+line-length = 120
+select = [
+  'E',  # pydocstyle
+  'W',  # pydocstyle
+  'F',  # pyflakes
+  'I',  # isort
+  'N',  # pep8-naming
+  'PLC',  # pylint-convention
+  'PLE',  # pylint-error
+  'PLR',  # pylint-refactor
+  'PLW',  # pylint-warning
+  'RUF'  # ruff
+]
+
+[tool.ruff.format]
+quote-style = 'single'

src/aiida_pseudo/cli/__init__.py

@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 """Module for the command line interface."""
-from .family import cmd_family
-from .install import cmd_install, cmd_install_family, cmd_install_pseudo_dojo, cmd_install_sssp
-from .list import cmd_list
-from .root import cmd_root
+from .family import cmd_family  # noqa: F401
+from .install import cmd_install, cmd_install_family, cmd_install_pseudo_dojo, cmd_install_sssp  # noqa: F401
+from .list import cmd_list  # noqa: F401
+from .root import cmd_root  # noqa: F401

src/aiida_pseudo/cli/family.py

@@ -2,9 +2,9 @@
 """Commands to inspect or modify the contents of pseudo potential families."""
 import json
 
+import click
 from aiida.cmdline.params import options as options_core
 from aiida.cmdline.utils import decorators, echo
-import click
 
 from .params import arguments, options, types
 from .root import cmd_root
@@ -28,7 +28,6 @@ def cmd_family_show(family, stringency, unit, raw):
     from ..groups.mixins import RecommendedCutoffMixin
 
     if isinstance(family, RecommendedCutoffMixin):
-
         try:
             family.validate_stringency(stringency)
         except ValueError as exception:
@@ -37,10 +36,15 @@ def cmd_family_show(family, stringency, unit, raw):
         unit = unit or family.get_cutoffs_unit(stringency)
 
         headers = ['Element', 'Pseudo', 'MD5', f'Wavefunction ({unit})', f'Charge density ({unit})']
-        rows = [[
-            pseudo.element, pseudo.filename, pseudo.md5,
-            *family.get_recommended_cutoffs(elements=pseudo.element, stringency=stringency, unit=unit)
-        ] for pseudo in family.nodes]
+        rows = [
+            [
+                pseudo.element,
+                pseudo.filename,
+                pseudo.md5,
+                *family.get_recommended_cutoffs(elements=pseudo.element, stringency=stringency, unit=unit),
+            ]
+            for pseudo in family.nodes
+        ]
     else:
         headers = ['Element', 'Pseudo', 'MD5']
         rows = [[pseudo.element, pseudo.filename, pseudo.md5] for pseudo in family.nodes]
@@ -64,7 +68,7 @@ def cmd_family_cutoffs():
 @options.STRINGENCY(required=True)
 @options.UNIT()
 @decorators.with_dbenv()
-def cmd_family_cutoffs_set(family, cutoffs, stringency, unit):  # noqa: D301
+def cmd_family_cutoffs_set(family, cutoffs, stringency, unit):
     """Set the recommended cutoffs for a pseudo potential family and a specified stringency.
 
     The cutoffs should be provided as a JSON file through the argument `CUTOFFS` which should have the structure: