Update ruff

.pre-commit-config.yaml

@@ -30,7 +30,7 @@ repos:
           - id: nbstripout
 
     - repo: https://github.com/astral-sh/ruff-pre-commit
-      rev: v0.5.5
+      rev: v0.6.1
       hooks:
           - id: ruff
             types_or: [python, pyi, jupyter]

pyproject.toml

@@ -21,7 +21,6 @@ line-length = 88
 show-fixes = true
 output-format = "full"
 target-version = "py39"
-extend-include = ["*.ipynb"]
 
 [tool.ruff.lint]
 ignore = ["E501", "E402", "TRY003", "RUF012", "N806"]

tests/configuration/test_advanced.py

@@ -120,9 +120,8 @@ def test_advanced_tot_charge_settings():
 
 def test_advanced_kpoints_mesh():
     """Test Mesh Grid HTML widget."""
-    from aiidalab_qe.app.configuration.advanced import AdvancedSettings
-
     from aiida import orm
+    from aiidalab_qe.app.configuration.advanced import AdvancedSettings
 
     w = AdvancedSettings()
 

tests/conftest.py

@@ -5,9 +5,9 @@
 import tempfile
 
 import pytest
-from aiidalab_qe.setup.pseudos import SSSP_VERSION
 
 from aiida import orm
+from aiidalab_qe.setup.pseudos import SSSP_VERSION
 
 pytest_plugins = ["aiida.manage.tests.pytest_fixtures"]
 
@@ -630,12 +630,11 @@ def _generate_qeapp_workchain(
     ):
         from copy import deepcopy
 
+        from aiida.orm.utils.serialize import serialize
         from aiidalab_qe.app.configuration import ConfigureQeAppWorkChainStep
         from aiidalab_qe.app.submission import SubmitQeAppWorkChainStep
         from aiidalab_qe.workflows import QeAppWorkChain
 
-        from aiida.orm.utils.serialize import serialize
-
         # Step 1: select structure from example
         s1 = app.structure_step
         if structure is None:

tests/test_cli.py

@@ -1,9 +1,9 @@
 import time
 
-import aiidalab_qe.__main__ as cli
 from click.testing import CliRunner, Result
 
 import aiida
+import aiidalab_qe.__main__ as cli
 
 # To learn more about testing click applications, see: https://click.palletsprojects.com/en/8.1.x/testing/
 

tests/test_plugins_bands.py

@@ -4,6 +4,7 @@
 @pytest.mark.usefixtures("sssp")
 def test_result(generate_qeapp_workchain):
     import plotly.graph_objects as go
+
     from aiidalab_qe.common.bandpdoswidget import BandPdosWidget
     from aiidalab_qe.plugins.bands.result import Result
 

tests/test_plugins_electronic_structure.py

@@ -1,12 +1,12 @@
 def test_electronic_structure(generate_qeapp_workchain):
     """Test the electronic structure tab."""
     import plotly.graph_objects as go
+
+    from aiida import engine
     from aiidalab_qe.app.result.workchain_viewer import WorkChainViewer
     from aiidalab_qe.common.bandpdoswidget import BandPdosWidget
     from aiidalab_qe.plugins.electronic_structure.result import Result
 
-    from aiida import engine
-
     wkchain = generate_qeapp_workchain()
     wkchain.node.set_exit_status(0)
     wkchain.node.set_process_state(engine.ProcessState.FINISHED)

tests/test_plugins_pdos.py

@@ -4,6 +4,7 @@
 @pytest.mark.usefixtures("sssp")
 def test_result(generate_qeapp_workchain):
     import plotly.graph_objects as go
+
     from aiidalab_qe.common.bandpdoswidget import BandPdosWidget
     from aiidalab_qe.plugins.pdos.result import Result
 

tests/test_plugins_xps.py

@@ -5,10 +5,10 @@
 def test_settings():
     """Test the settings of the xps app."""
 
-    from aiidalab_qe.app.configuration import ConfigureQeAppWorkChainStep
     from ase.build import molecule
 
     from aiida.orm import StructureData
+    from aiidalab_qe.app.configuration import ConfigureQeAppWorkChainStep
 
     configure_step = ConfigureQeAppWorkChainStep()
     # set the input structure

tests/test_pseudo.py

@@ -1,4 +1,6 @@
 import pytest
+
+from aiida import orm
 from aiidalab_qe.setup.pseudos import (
     PSEUDODOJO_VERSION,
     SSSP_VERSION,
@@ -7,8 +9,6 @@
     pseudos_to_install,
 )
 
-from aiida import orm
-
 
 def test_setup_pseudos_cmd(tmp_path):
     """Test _construct_cmd function in setup.pseudos"""

tests/test_result.py

@@ -43,9 +43,10 @@ def test_summary_report_advanced_settings(data_regression, generate_qeapp_workch
 
 def test_summary_view(generate_qeapp_workchain):
     """Test the report html can be properly generated."""
-    from aiidalab_qe.app.result.summary_viewer import SummaryView
     from bs4 import BeautifulSoup
 
+    from aiidalab_qe.app.result.summary_viewer import SummaryView
+
     wkchain = generate_qeapp_workchain()
     viewer = SummaryView(wkchain.node)
     report_html = viewer.report_html