🔧 MAINTAIN: Add isort pre-commit hook

.github/system_tests/pytest/test_memory_leaks.py

@@ -8,11 +8,11 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Utilities for testing memory leakage."""
-from tests.utils import processes as test_processes  # pylint: disable=no-name-in-module,import-error
-from tests.utils.memory import get_instances  # pylint: disable=no-name-in-module,import-error
+from aiida import orm
 from aiida.engine import processes, run_get_node
 from aiida.plugins import CalculationFactory
-from aiida import orm
+from tests.utils import processes as test_processes  # pylint: disable=no-name-in-module,import-error
+from tests.utils.memory import get_instances  # pylint: disable=no-name-in-module,import-error
 
 ArithmeticAddCalculation = CalculationFactory('core.arithmetic.add')
 

.github/system_tests/test_daemon.py

@@ -17,20 +17,27 @@
 import time
 
 from workchains import (
-    ArithmeticAddBaseWorkChain, CalcFunctionRunnerWorkChain, DynamicDbInput, DynamicMixedInput, DynamicNonDbInput,
-    ListEcho, NestedInputNamespace, NestedWorkChain, SerializeWorkChain, WorkFunctionRunnerWorkChain
+    ArithmeticAddBaseWorkChain,
+    CalcFunctionRunnerWorkChain,
+    DynamicDbInput,
+    DynamicMixedInput,
+    DynamicNonDbInput,
+    ListEcho,
+    NestedInputNamespace,
+    NestedWorkChain,
+    SerializeWorkChain,
+    WorkFunctionRunnerWorkChain,
 )
 
-from aiida.common import exceptions, StashMode
+from aiida.common import StashMode, exceptions
 from aiida.engine import run, submit
 from aiida.engine.daemon.client import get_daemon_client
 from aiida.engine.persistence import ObjectLoader
-from aiida.manage.caching import enable_caching
 from aiida.engine.processes import Process
-from aiida.orm import CalcJobNode, load_node, Int, Str, List, Dict, load_code
+from aiida.manage.caching import enable_caching
+from aiida.orm import CalcJobNode, Dict, Int, List, Str, load_code, load_node
 from aiida.plugins import CalculationFactory, WorkflowFactory
-from aiida.workflows.arithmetic.add_multiply import add_multiply, add
-
+from aiida.workflows.arithmetic.add_multiply import add, add_multiply
 from tests.utils.memory import get_instances  # pylint: disable=import-error
 
 CODENAME_ADD = 'add@localhost'

.github/system_tests/test_ipython_magics.py

@@ -9,6 +9,7 @@
 ###########################################################################
 """Test the AiiDA iPython magics."""
 from IPython.testing.globalipapp import get_ipython
+
 from aiida.tools.ipython.ipython_magics import register_ipython_extension
 
 

.github/system_tests/test_plugin_testcase.py

@@ -14,10 +14,10 @@
 Since the dbenv gets loaded on the temporary profile.
 """
 
+import shutil
 import sys
-import unittest
 import tempfile
-import shutil
+import unittest
 
 from aiida.manage.tests.unittest_classes import PluginTestCase, TestRunner
 

.github/system_tests/test_profile_manager.py

@@ -9,15 +9,15 @@
 ###########################################################################
 """Unittests for TestManager"""
 import os
+import sys
 import unittest
 import warnings
-import sys
 
 from pgtest import pgtest
 import pytest
 
-from aiida.manage.tests import TemporaryProfileManager, TestManagerError, get_test_backend_name
 from aiida.common.utils import Capturing
+from aiida.manage.tests import TemporaryProfileManager, TestManagerError, get_test_backend_name
 
 
 class TemporaryProfileManagerTestCase(unittest.TestCase):

.github/system_tests/test_test_manager.py

@@ -8,9 +8,9 @@
 # For further information please visit http://www.aiida.net               #
 ###########################################################################
 """Unittests for TestManager"""
+import sys
 import unittest
 import warnings
-import sys
 
 import pytest
 

.github/system_tests/workchains.py

@@ -10,8 +10,18 @@
 # pylint: disable=invalid-name
 """Work chain implementations for testing purposes."""
 from aiida.common import AttributeDict
-from aiida.engine import calcfunction, workfunction, WorkChain, ToContext, append_, while_, ExitCode
-from aiida.engine import BaseRestartWorkChain, process_handler, ProcessHandlerReport
+from aiida.engine import (
+    BaseRestartWorkChain,
+    ExitCode,
+    ProcessHandlerReport,
+    ToContext,
+    WorkChain,
+    append_,
+    calcfunction,
+    process_handler,
+    while_,
+    workfunction,
+)
 from aiida.engine.persistence import ObjectLoader
 from aiida.orm import Int, List, Str
 from aiida.plugins import CalculationFactory

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

@@ -107,8 +107,8 @@ def launch(expression, code, use_calculations, use_calcfunctions, sleep, timeout
     If no expression is specified, a random one will be generated that adheres to these rules
     """
     # pylint: disable=too-many-arguments,too-many-locals,too-many-statements,too-many-branches
-    from aiida.orm import Code, Int, Str
     from aiida.engine import run_get_node
+    from aiida.orm import Code, Int, Str
 
     lib_expression = importlib.import_module('lib.expression')
     lib_workchain = importlib.import_module('lib.workchain')

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

@@ -13,8 +13,8 @@
 import hashlib
 import os
 from pathlib import Path
-
 from string import Template
+
 from .expression import OPERATORS  # pylint: disable=relative-beyond-top-level
 
 INDENTATION_WIDTH = 4

.pre-commit-config.yaml

@@ -20,6 +20,11 @@ repos:
     -   id: check-yaml
 
 
+-   repo: https://github.com/pycqa/isort
+    rev: 5.9.3
+    hooks:
+    - id: isort
+
 -   repo: https://github.com/ikamensh/flynt/
     rev: '0.66'
     hooks:

aiida/backends/djsite/__init__.py

@@ -9,7 +9,7 @@
 ###########################################################################
 # pylint: disable=global-statement
 """Module with implementation of the database backend using Django."""
-from aiida.backends.utils import create_sqlalchemy_engine, create_scoped_session_factory
+from aiida.backends.utils import create_scoped_session_factory, create_sqlalchemy_engine
 
 ENGINE = None
 SESSION_FACTORY = None

aiida/backends/djsite/db/migrations/0001_initial.py

@@ -9,7 +9,7 @@
 ###########################################################################
 # pylint: disable=invalid-name
 """Database migration."""
-from django.db import models, migrations
+from django.db import migrations, models
 import django.db.models.deletion
 import django.utils.timezone
 

aiida/backends/djsite/db/migrations/0002_db_state_change.py

@@ -9,7 +9,7 @@
 ###########################################################################
 # pylint: disable=invalid-name
 """Database migration."""
-from django.db import models, migrations
+from django.db import migrations, models
 
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 

aiida/backends/djsite/db/migrations/0003_add_link_type.py

@@ -9,9 +9,10 @@
 ###########################################################################
 # pylint: disable=invalid-name
 """Database migration."""
-from django.db import models, migrations
-import aiida.common.timezone
+from django.db import migrations, models
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
+import aiida.common.timezone
 
 REVISION = '1.0.3'
 DOWN_REVISION = '1.0.2'

aiida/backends/djsite/db/migrations/0004_add_daemon_and_uuid_indices.py

@@ -9,8 +9,7 @@
 ###########################################################################
 # pylint: disable=invalid-name
 """Database migration."""
-from django.db import models
-from django.db import migrations
+from django.db import migrations, models
 
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 

aiida/backends/djsite/db/migrations/0005_add_cmtime_indices.py

@@ -9,9 +9,10 @@
 ###########################################################################
 # pylint: disable=invalid-name
 """Database migration."""
-from django.db import models, migrations
-import aiida.common.timezone
+from django.db import migrations, models
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
+import aiida.common.timezone
 
 REVISION = '1.0.5'
 DOWN_REVISION = '1.0.4'

aiida/backends/djsite/db/migrations/0006_delete_dbpath.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.6'

aiida/backends/djsite/db/migrations/0007_update_linktypes.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.8'

aiida/backends/djsite/db/migrations/0008_code_hidden_to_extra.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.8'

aiida/backends/djsite/db/migrations/0009_base_data_plugin_type_string.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.9'

aiida/backends/djsite/db/migrations/0010_process_type.py

@@ -9,7 +9,8 @@
 ###########################################################################
 # pylint: disable=invalid-name
 """Database migration."""
-from django.db import models, migrations
+from django.db import migrations, models
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.10'

aiida/backends/djsite/db/migrations/0011_delete_kombu_tables.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.11'

aiida/backends/djsite/db/migrations/0012_drop_dblock.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.12'

aiida/backends/djsite/db/migrations/0013_django_1_8.py

@@ -9,7 +9,8 @@
 ###########################################################################
 # pylint: disable=invalid-name
 """Database migration."""
-from django.db import models, migrations
+from django.db import migrations, models
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.13'

aiida/backends/djsite/db/migrations/0014_add_node_uuid_unique_constraint.py

@@ -11,6 +11,7 @@
 """Add a uniqueness constraint to the uuid column of DbNode table."""
 
 from django.db import migrations, models
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 from aiida.common.utils import get_new_uuid
 

aiida/backends/djsite/db/migrations/0015_invalidating_node_hash.py

@@ -13,6 +13,7 @@
 # Remove when https://github.com/PyCQA/pylint/issues/1931 is fixed
 # pylint: disable=no-name-in-module,import-error
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.15'

aiida/backends/djsite/db/migrations/0016_code_sub_class_of_data.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.16'

aiida/backends/djsite/db/migrations/0017_drop_dbcalcstate.py

@@ -10,6 +10,7 @@
 # pylint: disable=invalid-name
 """Database migration."""
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.17'

aiida/backends/djsite/db/migrations/0018_django_1_11.py

@@ -14,8 +14,9 @@
 # Remove when https://github.com/PyCQA/pylint/issues/1931 is fixed
 # pylint: disable=no-name-in-module,import-error
 from django.db import migrations, models
-import aiida.common.utils
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
+import aiida.common.utils
 
 REVISION = '1.0.18'
 DOWN_REVISION = '1.0.17'

aiida/backends/djsite/db/migrations/0020_provenance_redesign.py

@@ -13,6 +13,7 @@
 # Remove when https://github.com/PyCQA/pylint/issues/1931 is fixed
 # pylint: disable=no-name-in-module,import-error
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.20'

aiida/backends/djsite/db/migrations/0021_dbgroup_name_to_label_type_to_type_string.py

@@ -12,6 +12,7 @@
 
 # pylint: disable=no-name-in-module,import-error
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.21'

aiida/backends/djsite/db/migrations/0022_dbgroup_type_string_change_content.py

@@ -12,6 +12,7 @@
 
 # pylint: disable=no-name-in-module,import-error
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.22'

aiida/backends/djsite/db/migrations/0024_dblog_update.py

@@ -11,15 +11,16 @@
 # pylint: disable=invalid-name
 """Migration for the update of the DbLog table. Addition of uuids"""
 import sys
-import click
 
+import click
 # Remove when https://github.com/PyCQA/pylint/issues/1931 is fixed
 # pylint: disable=no-name-in-module,import-error
 from django.db import migrations, models
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 from aiida.backends.general.migrations.utils import dumps_json
-from aiida.common.utils import get_new_uuid
 from aiida.cmdline.utils import echo
+from aiida.common.utils import get_new_uuid
 from aiida.manage import configuration
 
 REVISION = '1.0.24'

aiida/backends/djsite/db/migrations/0025_move_data_within_node_module.py

@@ -13,6 +13,7 @@
 # Remove when https://github.com/PyCQA/pylint/issues/1931 is fixed
 # pylint: disable=no-name-in-module,import-error
 from django.db import migrations
+
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 
 REVISION = '1.0.25'

aiida/backends/djsite/db/migrations/0026_trajectory_symbols_to_attribute.py

@@ -19,6 +19,7 @@
 
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 from aiida.backends.general.migrations.utils import load_numpy_array_from_repository
+
 from . import ModelModifierV0025
 
 REVISION = '1.0.26'

aiida/backends/djsite/db/migrations/0027_delete_trajectory_symbols_array.py

@@ -19,6 +19,7 @@
 
 from aiida.backends.djsite.db.migrations import upgrade_schema_version
 from aiida.backends.general.migrations import utils
+
 from . import ModelModifierV0025
 
 REVISION = '1.0.27'