Devops: Update pre-commit requirement ruff==0.3.5 (#6339)

.github/system_tests/test_containerized_code.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Test running a :class:`~aiida.orm.nodes.data.codes.containerized.ContainerizedCode` code."""
+
 from aiida import orm
 from aiida.engine import run_get_node
 

.github/system_tests/test_daemon.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Tests to run with a running daemon."""
+
 import os
 import re
 import shutil

.github/system_tests/workchains.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Work chain implementations for testing purposes."""
+
 from aiida.common import AttributeDict
 from aiida.engine import (
     BaseRestartWorkChain,

.github/workflows/check_release_tag.py

@@ -1,4 +1,5 @@
 """Check that the GitHub release tag matches the package version."""
+
 import argparse
 import ast
 from pathlib import Path

.molecule/default/files/polish/cli.py

@@ -8,6 +8,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Command line interface to dynamically create and run a WorkChain that can evaluate a reversed polish expression."""
+
 import importlib
 import sys
 import time

.molecule/default/files/polish/lib/expression.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Functions to dynamically generate reversed polish notation expressions."""
+
 import collections
 import operator as operators
 import random

.pre-commit-config.yaml

@@ -32,7 +32,7 @@ repos:
     args: [--line-length=120, --fail-on-change]
 
 - repo: https://github.com/astral-sh/ruff-pre-commit
-  rev: v0.1.9
+  rev: v0.3.5
   hooks:
   - id: ruff-format
     exclude: &exclude_ruff >

docs/source/conf.py

@@ -238,9 +238,9 @@ def run_apidoc(_):
 
     # See https://stackoverflow.com/a/30144019
     env = os.environ.copy()
-    env[
-        'SPHINX_APIDOC_OPTIONS'
-    ] = 'members,special-members,private-members,undoc-members,show-inheritance,ignore-module-all'
+    env['SPHINX_APIDOC_OPTIONS'] = (
+        'members,special-members,private-members,undoc-members,show-inheritance,ignore-module-all'
+    )
     subprocess.check_call([cmd_path] + cli_options, env=env)
 
 

docs/source/howto/include/scripts/performance_benchmark_base.py

@@ -1,5 +1,6 @@
 #!/usr/bin/env python
 """Script to benchmark the performance of the AiiDA workflow engine on a given installation."""
+
 import click
 from aiida.cmdline.params import options
 from aiida.cmdline.utils import decorators, echo

docs/source/howto/include/snippets/extend_workflows.py

@@ -8,6 +8,7 @@
 ###########################################################################
 # start-marker for docs
 """Code snippets for the "How to extend workflows" section."""
+
 from aiida.engine import ToContext, WorkChain, calcfunction
 from aiida.orm import AbstractCode, Bool, Int
 from aiida.plugins.factories import CalculationFactory

docs/source/howto/include/snippets/plugins/launch.py

@@ -1,4 +1,5 @@
 """Launch a calculation using the 'diff-tutorial' plugin"""
+
 from pathlib import Path
 
 from aiida import engine, orm

docs/source/topics/include/scheduler_template.py

@@ -1,4 +1,5 @@
 """Template for a scheduler plugin."""
+
 import logging
 
 from aiida.common import exceptions

pyproject.toml

@@ -378,6 +378,12 @@ testpaths = [
 xfail_strict = true
 
 [tool.ruff]
+line-length = 120
+
+[tool.ruff.format]
+quote-style = 'single'
+
+[tool.ruff.lint]
 ignore = [
   'F403',  # Star imports unable to detect undefined names
   'F405',  # Import may be undefined or defined from star imports
@@ -389,7 +395,6 @@ ignore = [
   'RUF005',  # Consider iterable unpacking instead of concatenation
   'RUF012'  # Mutable class attributes should be annotated with `typing.ClassVar`
 ]
-line-length = 120
 select = [
   'E',  # pydocstyle
   'W',  # pydocstyle
@@ -403,9 +408,6 @@ select = [
   'RUF'  # ruff
 ]
 
-[tool.ruff.format]
-quote-style = 'single'
-
 [tool.tox]
 legacy_tox_ini = """
 [tox]

src/aiida/__init__.py

@@ -18,6 +18,7 @@
 
 More information at http://www.aiida.net
 """
+
 from aiida.common.log import configure_logging  # noqa: F401
 from aiida.manage.configuration import get_config_option, get_profile, load_profile, profile_context  # noqa: F401
 

src/aiida/__main__.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Expose the AiiDA CLI, for usage as `python -m aiida`"""
+
 import sys
 
 if __name__ == '__main__':

src/aiida/brokers/broker.py

@@ -1,4 +1,5 @@
 """Interface for a message broker that facilitates communication with and between process runners."""
+
 import abc
 import typing as t
 

src/aiida/brokers/rabbitmq/broker.py

@@ -1,4 +1,5 @@
 """Implementation of the message broker interface using RabbitMQ through ``kiwipy``."""
+
 from __future__ import annotations
 
 import functools

src/aiida/brokers/rabbitmq/client.py

@@ -1,4 +1,5 @@
 """Client for RabbitMQ Management HTTP API."""
+
 from __future__ import annotations
 
 import typing as t

src/aiida/brokers/rabbitmq/defaults.py

@@ -1,4 +1,5 @@
 """Defaults related to RabbitMQ."""
+
 from aiida.common.extendeddicts import AttributeDict
 
 __all__ = ('BROKER_DEFAULTS',)

src/aiida/calculations/arithmetic/add.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`CalcJob` implementation to add two numbers using bash for testing and demonstration purposes."""
+
 from aiida import orm
 from aiida.common.datastructures import CalcInfo, CodeInfo
 from aiida.common.folders import Folder

src/aiida/calculations/diff_tutorial/calculations.py

@@ -2,6 +2,7 @@
 
 Register calculations via the "aiida.calculations" entry point in the pyproject.toml file.
 """
+
 from aiida.common import datastructures
 from aiida.engine import CalcJob
 from aiida.orm import SinglefileData

src/aiida/calculations/importers/arithmetic/add.py

@@ -1,4 +1,5 @@
 """Importer for the :class:`aiida.calculations.arithmetic.add.ArithmeticAddCalculation` plugin."""
+
 from pathlib import Path
 from re import match
 from tempfile import NamedTemporaryFile

src/aiida/calculations/monitors/base.py

@@ -1,4 +1,5 @@
 """Monitors for the :class:`aiida.calculations.arithmetic.add.ArithmeticAddCalculation` plugin."""
+
 from __future__ import annotations
 
 import tempfile

src/aiida/calculations/templatereplacer.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Generic `CalcJob` implementation where input file is a parametrized template file."""
+
 import io
 
 from aiida import orm

src/aiida/cmdline/commands/__init__.py

@@ -11,6 +11,7 @@
 
 The commands need to be imported here for them to be registered with the top-level command group.
 """
+
 from aiida.cmdline.commands import (
     cmd_archive,
     cmd_calcjob,

src/aiida/cmdline/commands/cmd_archive.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi archive` command."""
+
 import logging
 import traceback
 from enum import Enum

src/aiida/cmdline/commands/cmd_calcjob.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi calcjob` commands."""
+
 import os
 
 import click

src/aiida/cmdline/commands/cmd_code.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi code` command."""
+
 from collections import defaultdict
 from functools import partial
 

src/aiida/cmdline/commands/cmd_computer.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi computer` command."""
+
 from copy import deepcopy
 from functools import partial
 from math import isclose

src/aiida/cmdline/commands/cmd_config.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi config` command."""
+
 from __future__ import annotations
 
 import json

src/aiida/cmdline/commands/cmd_daemon.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi daemon` commands."""
+
 from __future__ import annotations
 
 import subprocess

src/aiida/cmdline/commands/cmd_data/cmd_export.py

@@ -6,8 +6,7 @@
 # For further information on the license, see the LICENSE.txt file        #
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
-"""This module provides export functionality to all data types
-"""
+"""This module provides export functionality to all data types"""
 
 import click
 

src/aiida/cmdline/commands/cmd_data/cmd_list.py

@@ -6,8 +6,7 @@
 # For further information on the license, see the LICENSE.txt file        #
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
-"""This module provides list functionality to all data types.
-"""
+"""This module provides list functionality to all data types."""
 
 from aiida.cmdline.params import options
 

src/aiida/cmdline/commands/cmd_data/cmd_remote.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi data core.remote` command."""
+
 import stat
 
 import click

src/aiida/cmdline/commands/cmd_data/cmd_show.py

@@ -6,8 +6,8 @@
 # For further information on the license, see the LICENSE.txt file        #
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
-"""This allows to manage showfunctionality to all data types.
-"""
+"""This allows to manage showfunctionality to all data types."""
+
 import pathlib
 
 from aiida.cmdline.utils import echo

src/aiida/cmdline/commands/cmd_devel.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi devel` commands."""
+
 import sys
 
 import click

src/aiida/cmdline/commands/cmd_group.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi group` commands"""
+
 import click
 
 from aiida.cmdline.commands.cmd_verdi import verdi

src/aiida/cmdline/commands/cmd_node.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi node` command."""
+
 import datetime
 import pathlib
 

src/aiida/cmdline/commands/cmd_process.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi process` command."""
+
 import click
 
 from aiida.cmdline.commands.cmd_verdi import verdi
@@ -128,7 +129,7 @@ def process_list(
     echo.echo(f'\nTotal results: {len(projected)}\n')
 
     if 'cached' in project:
-        echo.echo_report('\u267B Processes marked with check-mark were not run but taken from the cache.')
+        echo.echo_report('\u267b Processes marked with check-mark were not run but taken from the cache.')
         echo.echo_report('Add the option `-P pk cached_from` to the command to display cache source.')
 
     print_last_process_state_change()

src/aiida/cmdline/commands/cmd_profile.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi profile` command."""
+
 from __future__ import annotations
 
 import click

src/aiida/cmdline/commands/cmd_rabbitmq.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi devel rabbitmq` commands."""
+
 from __future__ import annotations
 
 import re

src/aiida/cmdline/commands/cmd_run.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi run` command."""
+
 import contextlib
 import pathlib
 import sys

src/aiida/cmdline/commands/cmd_setup.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """The `verdi setup` and `verdi quicksetup` commands."""
+
 import click
 
 from aiida.cmdline.commands.cmd_verdi import verdi

src/aiida/cmdline/commands/cmd_status.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi status` command."""
+
 import enum
 import sys
 
@@ -42,7 +43,7 @@ class ServiceStatus(enum.IntEnum):
     },
     ServiceStatus.WARNING: {
         'color': 'yellow',
-        'string': '\u23FA',
+        'string': '\u23fa',
     },
     ServiceStatus.DOWN: {
         'color': 'red',

src/aiida/cmdline/commands/cmd_storage.py

@@ -7,6 +7,7 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """`verdi storage` commands."""
+
 import click
 from click_spinner import spinner