fea: use ruff 0.6.1

.pre-commit-config.yaml

@@ -15,44 +15,9 @@ repos:
     -   id: trailing-whitespace
         exclude: *exclude_files
 
-  - repo: https://github.com/psf/black-pre-commit-mirror
-    rev: 24.4.0
+  - repo: https://github.com/astral-sh/ruff-pre-commit
+    rev: v0.6.1
     hooks:
-      - id: black
-        name: Black Formating
-        exclude: *exclude_files
-
-  - repo: https://github.com/pycqa/isort
-    rev: 5.13.2
-    hooks:
-      - id: isort
-        name: Sort imports
-        exclude: *exclude_files
-
-  - repo: https://github.com/PyCQA/pylint
-    rev: pylint-2.5.2
-    hooks:
-    -   id: pylint
-        language: system
-        args: [
-          '--disable=line-too-long',
-          '--disable=no-member',
-          '--disable=missing-module-docstring',
-          '--disable=missing-class-docstring',
-          '--disable=missing-function-docstring',
-          '--disable=too-many-arguments',
-          '--disable=too-many-locals',
-          '--disable=not-callable',
-          '--disable=logging-fstring-interpolation',
-          '--disable=logging-not-lazy',
-          '--disable=invalid-name',
-          '--disable=too-few-public-methods',
-          '--disable=too-many-instance-attributes',
-          '--disable=too-many-statements',
-          '--disable=too-many-branches',
-          '--disable=import-outside-toplevel',
-          '--disable=cell-var-from-loop',
-          '--disable=duplicate-code',
-          '--disable=use-dict-literal',
-        ]
-        exclude: *exclude_files
+      - id: ruff
+        args: [ --fix]
+      - id: ruff-format

pyproject.toml

@@ -5,36 +5,70 @@ requires = [
 ]
 build-backend = "setuptools.build_meta"
 
-# Make isort compatible with black
-[tool.isort]
-profile = "black"
-
-# Pylint
-[tool.pylint.'MESSAGES CONTROL']
-disable = [
-    "line-too-long",
-    "no-member",
-    "missing-module-docstring",
-    "missing-class-docstring",
-    "missing-function-docstring",
-    "too-many-arguments",
-    "too-many-locals",
-    "not-callable",
-    "logging-fstring-interpolation",
-    "logging-not-lazy",
-    "invalid-name",
-    "too-few-public-methods",
-    "too-many-instance-attributes",
-    "too-many-statements",
-    "too-many-branches",
-    "import-outside-toplevel",
-    "cell-var-from-loop",
-    "duplicate-code",
-    "use-dict-literal",
-]
-
-[tool.pylint.MASTER]
-ignore-paths = [
+[tool.ruff]
+target-version = "py37"
+line-length = 120
+exclude = [
     "^mace/tools/torch_geometric/.*$",
     "^mace/tools/scatter.py$",
 ]
+
+[tool.ruff.lint]
+select = ["ALL"]
+ignore = [
+  # Rule families
+  "ANN",  # flake8-annotations (not ready, require types for ALL args)
+  "ARG",  # Check for unused function arguments
+  "BLE",  # General catch of Exception
+  "C90",  # Check for functions with a high McCabe complexity
+  "COM",  # flake8-commas (conflict with line wrapper)
+  "CPY",  # Missing copyright notice at top of file (need preview mode)
+  "D",    # pydocstyle
+  "EM",   # Format nice error messages
+  "ERA",  # Check for commented-out code
+  "FIX",  # Check for FIXME, TODO and other developer notes
+  "FURB", # refurb (need preview mode, too many preview errors)
+  "G",    # validate logging format strings
+  "INP",  # Ban PEP-420 implicit namespace packages
+  "N",    # pep8-naming (many var/arg names are intended)
+  "NPY",  # NumPy-specific rules (TODO: enable this)
+  "PTH",  # Prefer pathlib over os.path
+  "S",    # flake8-bandit (TODO: enable this)
+  "SLF",  # Access "private" class members
+  "T20",  # Check for print/pprint
+  "TD",   # TODO tags related
+
+  # Single rules
+  "B023",    # Function definition does not bind loop variable
+  "B028",    # No explicit stacklevel keyword argument found
+  "B904",    # Within an except clause, raise exceptions with ...
+  "C408",    # unnecessary-collection-call
+  "D105",    # Missing docstring in magic method
+  "D205",    # 1 blank line required between summary line and description
+  "D212",    # Multi-line docstring summary should start at the first line
+  "DTZ003",  # TODO: fix this (issue #3791)
+  "E501",    # Line too long
+  "FBT001",  # Boolean-typed positional argument in function definition
+  "FBT002",  # Boolean default positional argument in function
+  "ISC001",  # Ignore for purpose of auto formatting
+  "N801",    # Invalid Name
+  "PD901",   # pandas-df-variable-name
+  "PERF203", # try-except-in-loop
+  "PERF401", # manual-list-comprehension
+  "PLR0911", # too many return statements
+  "PLR0912", # too many branches
+  "PLR0913", # too many arguments
+  "PLR0915", # too many statements
+  "PLR2004", # magic values in comparison
+  "PLW2901", # Outer for loop variable overwritten by inner assignment target
+  "PT013",   # pytest-incorrect-pytest-import
+  "PYI024",  # Use `typing.NamedTuple` instead of `collections.namedtuple`
+  "RET505",  # Unnecessary `else` after `return` statement
+  "SIM105",  # Use contextlib.suppress() instead of try-except-pass
+  "TRY003",  # Avoid specifying long messages outside the exception class
+  "TRY300",  # Checks for return statements in try blocks
+  "TRY301",  # Checks for raise statements within try blocks
+]
+pydocstyle.convention = "google"
+isort.split-on-trailing-comma = false
+isort.required-imports = ["from __future__ import annotations"]

setup.cfg

@@ -44,10 +44,8 @@ console_scripts =
 [options.extras_require]
 wandb = wandb
 dev =
-    black
-    isort
+    ruff
     mypy
     pre-commit
     pytest
-    pylint
 schedulefree = schedulefree