Auto-update pre-commit hooks

Author: gpetretto

.pre-commit-config.yaml

@@ -3,21 +3,21 @@ default_language_version:
 exclude: ^(.github/|tests/test_data/abinit/)
 repos:
 - repo: https://github.com/charliermarsh/ruff-pre-commit
-  rev: v0.4.4
+  rev: v0.8.4
   hooks:
   - id: ruff
     args: [--fix]
   - id: ruff-format
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v4.6.0
+  rev: v5.0.0
   hooks:
   - id: check-yaml
   - id: fix-encoding-pragma
     args: [--remove]
   - id: end-of-file-fixer
   - id: trailing-whitespace
 - repo: https://github.com/asottile/blacken-docs
-  rev: 1.16.0
+  rev: 1.19.1
   hooks:
   - id: blacken-docs
     additional_dependencies: [black]
@@ -30,17 +30,17 @@ repos:
   - id: rst-directive-colons
   - id: rst-inline-touching-normal
 - repo: https://github.com/pre-commit/mirrors-mypy
-  rev: v1.10.0
+  rev: v1.14.1
   hooks:
   - id: mypy
     files: ^src/
     additional_dependencies:
     - tokenize-rt==4.1.0
     - types-paramiko
 - repo: https://github.com/codespell-project/codespell
-  rev: v2.2.6
+  rev: v2.3.0
   hooks:
   - id: codespell
-    stages: [commit, commit-msg]
+    stages: [pre-commit, commit-msg]
     args: [--ignore-words-list, 'titel,statics,ba,nd,te,atomate']
     types_or: [python, rst, markdown]

src/atomate2/cli/dev.py

@@ -600,13 +600,13 @@ def save_abinit_maker(maker: Maker) -> None:
     author_mail = None
     if git:
         name = subprocess.run(
-            "git config user.name".split(),  # noqa: S603
+            "git config user.name".split(),
             capture_output=True,
             encoding="utf-8",
             check=True,
         )
         mail = subprocess.run(
-            "git config user.email".split(),  # noqa: S603
+            "git config user.email".split(),
             capture_output=True,
             encoding="utf-8",
             check=True,

tests/abinit/conftest.py

@@ -27,7 +27,7 @@ def abinit_integration_tests(pytestconfig):
     return pytestconfig.getoption("abinit_integration")
 
 
-@pytest.fixture()
+@pytest.fixture
 def mock_abinit(mocker, abinit_test_dir, abinit_integration_tests):
     """
     This fixture allows one to mock running ABINIT.

tests/aims/conftest.py

@@ -34,7 +34,7 @@ def pytest_addoption(parser):
     )
 
 
-@pytest.fixture()
+@pytest.fixture
 def si():
     return Structure(
         lattice=Lattice(
@@ -45,7 +45,7 @@ def si():
     )
 
 
-@pytest.fixture()
+@pytest.fixture
 def o2():
     return Molecule(species=["O", "O"], coords=[[0, 0, 0.622978], [0, 0, -0.622978]])
 
@@ -64,15 +64,15 @@ def ref_path():
     return test_dir.resolve()
 
 
-@pytest.fixture()
+@pytest.fixture
 def should_mock_aims(request):
     try:
         return not request.config.getoption("--generate-test-data")
     except ValueError:
         return True
 
 
-@pytest.fixture()
+@pytest.fixture
 def mock_aims(monkeypatch, ref_path, should_mock_aims):
     """
     This fixture allows one to mock (fake) running FHI-aims.

tests/aims/test_files/test_files.py

@@ -7,7 +7,7 @@
 TEST_DIR = Path(__file__).parent
 
 
-@pytest.fixture()
+@pytest.fixture
 def tmp_dir():
     """Same as clean_dir but is fresh for every test"""
     import os

tests/conftest.py

@@ -50,7 +50,7 @@ def clean_dir(debug_mode):
         shutil.rmtree(new_path)
 
 
-@pytest.fixture()
+@pytest.fixture
 def tmp_dir():
     """Same as clean_dir but is fresh for every test"""
 
@@ -79,7 +79,7 @@ def lpad(database, debug_mode):
             lpad.db[coll].drop()
 
 
-@pytest.fixture()
+@pytest.fixture
 def memory_jobstore():
     store = JobStore(MemoryStore(), additional_stores={"data": MemoryStore()})
     store.connect()
@@ -92,17 +92,17 @@ def log_to_stdout_auto_use():
     initialize_logger()
 
 
-@pytest.fixture()
+@pytest.fixture
 def si_structure(test_dir):
     return Structure.from_file(test_dir / "structures" / "Si.cif")
 
 
-@pytest.fixture()
+@pytest.fixture
 def sr_ti_o3_structure(test_dir):
     return Structure.from_file(test_dir / "structures" / "SrTiO3.cif")
 
 
-@pytest.fixture()
+@pytest.fixture
 def ba_ti_o3_structure(test_dir):
     return Structure.from_file(test_dir / "structures" / "BaTiO3.cif")
 

tests/cp2k/conftest.py

@@ -56,7 +56,7 @@ def cp2k_test_outputs(test_dir):
     return Path(test_dir / "cp2k").glob("*/outputs")
 
 
-@pytest.fixture()
+@pytest.fixture
 def mock_cp2k(monkeypatch, cp2k_test_dir):
     """
     This fixture allows one to mock (fake) running CP2K.
@@ -169,7 +169,7 @@ def fake_run_cp2k(
     logger.info("Generated fake cp2k outputs")
 
 
-@pytest.fixture()
+@pytest.fixture
 def check_input():
     from pymatgen.io.cp2k.inputs import Cp2kInput
 

tests/qchem/conftest.py

@@ -31,7 +31,7 @@ def qchem_test_dir(test_dir):
     return test_dir / "qchem"
 
 
-@pytest.fixture()
+@pytest.fixture
 def mock_qchem(
     monkeypatch: MonkeyPatch, qchem_test_dir: Path
 ) -> Generator[Callable[[Any, Any], Any], None, None]:

tests/vasp/conftest.py

@@ -38,7 +38,7 @@ def lobster_test_dir(test_dir):
     return test_dir / "lobster"
 
 
-@pytest.fixture()
+@pytest.fixture
 def mock_vasp(
     monkeypatch: MonkeyPatch, vasp_test_dir: Path
 ) -> Generator[Callable[[Any, Any], Any], None, None]:

tests/vasp/flows/test_electrode.py

@@ -6,7 +6,7 @@
 from jobflow.settings import JobflowSettings
 
 
-@pytest.fixture()
+@pytest.fixture
 def mock_jobflow_settings(memory_jobstore):
     """Set the UID_TYPE to "ulid" to make sure the documents can be sorted.