chore: Switch from pylint to ruff (#82)

.pre-commit-config.yaml

@@ -8,15 +8,14 @@ repos:
     args: ['-i']
     additional_dependencies: [toml]
 
-- repo: local
+- repo: https://github.com/astral-sh/ruff-pre-commit
+  rev: v0.7.4
   hooks:
+    - id: ruff
+      args: [--fix, --exit-non-zero-on-fix, --show-fixes]
 
-  - id: pylint
-    name: pylint
-    entry: pylint
-    types: [file, python]
-    language: system
-    exclude: '^(docs/)|(examples/)'
+- repo: local
+  hooks:
 
   -  id: mypy
      name: mypy

aiida_test_cache/__init__.py

@@ -1,4 +1,3 @@
-# -*- coding: utf-8 -*-
 """A pytest plugin for testing AiiDA plugins."""
 
 __version__ = '0.1.0.dev1'

aiida_test_cache/_config.py

@@ -1,15 +1,14 @@
-# -*- coding: utf-8 -*-
 """
 Helpers for managing the ``.aiida-test-cache-config.yml`` configuration file.
 """
 
+import collections
 import pathlib
 import typing as ty
-import collections
 from enum import Enum
-from voluptuous import Schema
 
 import yaml
+from voluptuous import Schema
 
 CONFIG_FILE_NAME = '.aiida-test-cache-config.yml'
 

aiida_test_cache/archive_cache/__init__.py

@@ -1,8 +1,8 @@
-# -*- coding: utf-8 -*-
 """
 Defines fixtures for automatically creating / loading an AiiDA DB export,
 to enable AiiDA - level caching.
 """
+# ruff: noqa: F403, F405
 
 from ._fixtures import *
 

aiida_test_cache/archive_cache/_fixtures.py

@@ -1,27 +1,36 @@
-# -*- coding: utf-8 -*-
 """
 Defines pytest fixtures for automatically enable caching in tests and create aiida archives if not existent.
 Meant to be useful for WorkChain tests.
 """
-# pylint: disable=unused-argument, protected-access, redefined-outer-name
-
 import os
 import pathlib
-from contextlib import contextmanager
 import shutil
 import typing as ty
+from contextlib import contextmanager
 
 import pytest
-
 from aiida import plugins
 from aiida.common.links import LinkType
-from aiida.orm import Code, Dict, SinglefileData, List, FolderData, RemoteData, StructureData
-from aiida.orm import CalcJobNode, QueryBuilder
 from aiida.manage.caching import enable_caching
+from aiida.orm import (
+    CalcJobNode,
+    Code,
+    Dict,
+    FolderData,
+    List,
+    QueryBuilder,
+    RemoteData,
+    SinglefileData,
+    StructureData,
+)
 
-from ._utils import monkeypatch_hash_objects, get_node_from_hash_objects_caller
-from ._utils import load_node_archive, create_node_archive
 from .._config import Config
+from ._utils import (
+    create_node_archive,
+    get_node_from_hash_objects_caller,
+    load_node_archive,
+    monkeypatch_hash_objects,
+)
 
 __all__ = (
     "pytest_addoption", "absolute_archive_path", "enable_archive_cache", "liberal_hash",
@@ -146,7 +155,9 @@ def _absolute_archive_path(
 
 @pytest.fixture(scope='function')
 def enable_archive_cache(
-    liberal_hash: None, archive_cache_forbid_migration: bool, archive_cache_overwrite: bool,
+    liberal_hash: None,  # noqa: ARG001
+    archive_cache_forbid_migration: bool,
+    archive_cache_overwrite: bool,
     absolute_archive_path: ty.Callable
 ) -> ty.Callable:
     """
@@ -225,11 +236,12 @@ def liberal_hash(monkeypatch: pytest.MonkeyPatch, testing_config: Config) -> Non
 
     #Load the corresponding entry points
     node_ignored_attributes = {
-        plugins.DataFactory(entry_point): tuple(set(ignored)) + ('version', )
+        plugins.DataFactory(entry_point): (*tuple(set(ignored)), "version")
         for entry_point, ignored in hash_ignore_config.get('node_attributes', {}).items()
     }
-    calcjob_ignored_attributes = tuple(hash_ignore_config.get('calcjob_attributes', [])
-                                       ) + ('version', )
+    calcjob_ignored_attributes = (
+        *tuple(hash_ignore_config.get("calcjob_attributes", [])), "version"
+    )
     calcjob_ignored_inputs = tuple(hash_ignore_config.get('calcjob_inputs', []))
 
     def mock_objects_to_hash_code(self):

aiida_test_cache/archive_cache/_utils.py

@@ -1,16 +1,15 @@
 """
 Defines helper functions for the archive_cache pytest fixtures
 """
-import typing as ty
-from functools import partial
+import os
 import pathlib
 import tempfile
-import os
+import typing as ty
+from functools import partial
 
 import pytest
-
-from aiida.orm import ProcessNode, QueryBuilder, Node
 from aiida.cmdline.utils.echo import echo_warning
+from aiida.orm import Node, ProcessNode, QueryBuilder
 
 __all__ = ('rehash_processes', 'monkeypatch_hash_objects')
 
@@ -47,8 +46,6 @@ def monkeypatch_hash_objects(
         monkeypatched on the Nodes, i.e. the _CLS_NODE_CACHING attribute
 
     """
-    #pylint: disable=too-few-public-methods,protected-access
-
     try:
         monkeypatch.setattr(node_class, "_get_objects_to_hash", hash_objects_func)
     except AttributeError:
@@ -75,15 +72,14 @@ def get_node_from_hash_objects_caller(caller: ty.Any) -> Node:
     try:
         #Case for AiiDA 2.0: The class holding the _get_objects_to_hash method
         #is the NodeCaching class not the actual node
-        return caller._node  #type: ignore[no-any-return] #pylint: disable=protected-access
+        return caller._node  #type: ignore[no-any-return]
     except AttributeError:
         return caller  #type: ignore[no-any-return]
 
 
 #Cross-compatible importing function for import AiiDA archives in 1.X and 2.X
 try:
-    from aiida.tools.archive import create_archive
-    from aiida.tools.archive import import_archive
+    from aiida.tools.archive import create_archive, import_archive
     import_archive = partial(import_archive, merge_extras=('n', 'c', 'u'), import_new_extras=True)
 
     def import_with_migrate(
@@ -96,9 +92,8 @@ def import_with_migrate(
         Import AiiDA Archive. If the version is incompatible
         try to migrate the archive if --archive-cache-forbid-migration option is not specified
         """
-        #pylint: disable=import-outside-toplevel
-        from aiida.tools.archive import get_format
         from aiida.common.exceptions import IncompatibleStorageSchema
+        from aiida.tools.archive import get_format
 
         try:
             import_archive(archive_path, *args, **kwargs)
@@ -131,10 +126,12 @@ def import_with_migrate(
         Import AiiDA Archive. If the version is incompatible
         try to migrate the archive if --archive-cache-forbid-migration option is not specified
         """
-        #pylint: disable=import-outside-toplevel
-        from aiida.tools.importexport import EXPORT_VERSION, IncompatibleArchiveVersionError
         # these are only availbale after aiida >= 1.5.0, maybe rely on verdi import instead
-        from aiida.tools.importexport import detect_archive_type
+        from aiida.tools.importexport import (
+            EXPORT_VERSION,
+            IncompatibleArchiveVersionError,
+            detect_archive_type,
+        )
         from aiida.tools.importexport.archive.migrators import get_migrator  # type: ignore[import-not-found]
 
         try:

aiida_test_cache/mock_code/__init__.py

@@ -2,9 +2,10 @@
 Defines fixtures for mocking AiiDA codes, with caching at the level of
 the executable.
 """
+# ruff: noqa: F405
 
-from ._hasher import InputHasher
-from ._fixtures import *
+from ._fixtures import *  # noqa: F403
+from ._hasher import InputHasher  # noqa: F401
 
 # Note: This is necessary for the sphinx doc - otherwise it does not find aiida_test_cache.mock_code.mock_code_factory
 __all__ = (

aiida_test_cache/mock_code/_cli.py

@@ -1,21 +1,20 @@
 #!/usr/bin/env python
-# -*- coding: utf-8 -*-
 """
 Implements the executable for running a mock AiiDA code.
 """
-from datetime import datetime
+import fnmatch
 import os
-import sys
 import shutil
 import subprocess
+import sys
 import typing as ty
-import fnmatch
+from datetime import datetime
 from pathlib import Path
 
 from ._env_keys import MockVariables
 
 
-def run() -> None:  # pylint: disable=too-many-branches
+def run() -> None:
     """
     Run the mock AiiDA code. If the corresponding result exists, it is
     simply copied over to the current working directory. Otherwise,
@@ -39,12 +38,12 @@ def _log(msg: str, error=False) -> None:
 
     try:
         hasher_cls = env.get_hasher()
-    except Exception as exc:  # pylint: disable=broad-except
+    except Exception as exc:
         _log(f"loading hasher: {exc}", error=True)
 
     try:
         hash_digest = hasher_cls(env, _log)(Path('.'))
-    except Exception as exc:  # pylint: disable=broad-except
+    except Exception as exc:
         _log(f"computing hash: {exc}", error=True)
 
     res_dir = env.data_dir / f"mock-{env.label}-{hash_digest}"
@@ -107,7 +106,7 @@ def copy_files(
     # accessing its content, hence using os.walk.
     for dirpath, _, filenames in os.walk(src_dir):
         relative_dir = Path(dirpath).relative_to(src_dir)
-        dirs_to_check = list(relative_dir.parents) + [relative_dir]
+        dirs_to_check = [*list(relative_dir.parents), relative_dir]
 
         if relative_dir.parts and relative_dir.parts[0] == ('.aiida'):
             continue

aiida_test_cache/mock_code/_env_keys.py

@@ -1,19 +1,18 @@
-# -*- coding: utf-8 -*-
 """
 Defines the environment variable names for the mock code execution.
 """
-from dataclasses import dataclass
-from enum import Enum
 import inspect
 import os
-from pathlib import Path
 import typing as ty
+from dataclasses import dataclass
+from enum import Enum
+from pathlib import Path
 
 from ._hasher import InputHasher, load_hasher
 
 
 @dataclass
-class MockVariables:  # pylint: disable=too-many-instance-attributes
+class MockVariables:
     """
     A class containing variables defined for the mock code execution.
     """

aiida_test_cache/mock_code/_fixtures.py

@@ -1,26 +1,24 @@
-# -*- coding: utf-8 -*-
 """
 Defines a pytest fixture for creating mock AiiDA codes.
 """
 
-import uuid
-import shutil
+import collections
+import os
 import pathlib
+import shutil
 import typing as ty
+import uuid
 import warnings
-import collections
-import os
-from pkg_resources import parse_version
 
 import click
 import pytest
-
-from aiida.orm import Code
 from aiida import __version__ as aiida_version
+from aiida.orm import Code
+from pkg_resources import parse_version
 
+from .._config import CONFIG_FILE_NAME, Config, ConfigActions
 from ._env_keys import MockVariables
 from ._hasher import InputHasher
-from .._config import Config, CONFIG_FILE_NAME, ConfigActions
 
 __all__ = (
     "pytest_addoption",
@@ -90,7 +88,7 @@ def mock_disable_mpi(request):
 
 
 @pytest.fixture(scope='session')
-def testing_config(testing_config_action):  # pylint: disable=redefined-outer-name
+def testing_config(testing_config_action):
     """Get content of .aiida-test-cache-config.yml
 
     testing_config_action :
@@ -110,7 +108,7 @@ def testing_config(testing_config_action):  # pylint: disable=redefined-outer-na
 def _forget_mpi_decorator(func):
     """Modify :py:meth:`aiida.orm.Code.get_prepend_cmdline_params` to discard MPI parameters."""
 
-    def _get_prepend_cmdline_params(self, mpi_args=None, extra_mpirun_params=None):  # pylint: disable=unused-argument
+    def _get_prepend_cmdline_params(self, mpi_args=None, extra_mpirun_params=None):  # noqa: ARG001
         return func(self)
 
     return _get_prepend_cmdline_params
@@ -121,7 +119,7 @@ def mock_code_factory(
     aiida_localhost, testing_config, testing_config_action, mock_regenerate_test_data,
     mock_fail_on_missing, mock_disable_mpi, monkeypatch, request: pytest.FixtureRequest,
     tmp_path: pathlib.Path
-):  # pylint: disable=all
+):
     """
     Fixture to create a mock AiiDA Code.
 
@@ -145,7 +143,7 @@ def _get_mock_code(
         _regenerate_test_data: bool = mock_regenerate_test_data,
         _fail_on_missing: bool = mock_fail_on_missing,
         _disable_mpi: bool = mock_disable_mpi,
-    ):  # pylint: disable=too-many-arguments,too-many-branches,too-many-locals
+    ):
         """
         Creates a mock AiiDA code. If the same inputs have been run previously,
         the results are copied over from the corresponding sub-directory of
@@ -178,13 +176,14 @@ def _get_mock_code(
             If True, regenerate test data instead of reusing.
 
         .. deprecated:: 0.1.0
-            Keyword `ingore_files` is deprecated and will be removed in `v1.0`. Use `ignore_paths` instead.
+            Keyword `ignore_files` is deprecated and will be removed in `v1.0`. Use `ignore_paths` instead.
         """
         if ignore_files != ('_aiidasubmit.sh', ):
             warnings.warn(
                 'keyword `ignore_files` is deprecated and will be removed in `v1.0`. Use `ignore_paths` instead.',
-                DeprecationWarning
-            )  # pylint: disable=no-member
+                DeprecationWarning,
+                stacklevel=2
+            )
 
         # It's easy to forget the final comma and pass a string, e.g. `ignore_paths = ('_aiidasubmit.sh')`
         for arg in (ignore_paths, ignore_files):