From 8810ad04eb6714dab97fbe5f52009ca517e680e7 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 2 Sep 2024 20:29:15 +0000 Subject: [PATCH] pre-commit auto-fixes --- tests/ansible/test_interpreter.py | 1 + tests/cp2k/test_handlers.py | 6 +++--- tests/cp2k/test_jobs.py | 1 - tests/feff/test_handlers.py | 1 - tests/feff/test_jobs.py | 2 +- tests/gaussian/test_handlers.py | 1 - tests/gaussian/test_jobs.py | 1 - tests/lobster/test_handlers.py | 1 - tests/lobster/test_jobs.py | 2 +- tests/nwchem/test_handlers.py | 1 - tests/qchem/test_handlers.py | 2 +- tests/qchem/test_job_handler_interaction.py | 4 ++-- tests/qchem/test_jobs.py | 2 +- tests/test_custodian.py | 3 ++- tests/vasp/test_handlers.py | 8 ++++---- tests/vasp/test_io.py | 4 ++-- tests/vasp/test_jobs.py | 2 +- tests/vasp/test_utils.py | 2 +- tests/vasp/test_validators.py | 2 +- 19 files changed, 21 insertions(+), 25 deletions(-) diff --git a/tests/ansible/test_interpreter.py b/tests/ansible/test_interpreter.py index 2b2dde54..03b641fc 100644 --- a/tests/ansible/test_interpreter.py +++ b/tests/ansible/test_interpreter.py @@ -5,6 +5,7 @@ from typing import Any import pytest + from custodian.ansible.actions import FileActions from custodian.ansible.interpreter import Modder diff --git a/tests/cp2k/test_handlers.py b/tests/cp2k/test_handlers.py index 901c3541..c7349044 100644 --- a/tests/cp2k/test_handlers.py +++ b/tests/cp2k/test_handlers.py @@ -8,6 +8,9 @@ import warnings from glob import glob +from pymatgen.io.cp2k.inputs import Keyword, KeywordList +from pymatgen.io.cp2k.sets import StaticSet + from custodian.cp2k.handlers import ( AbortHandler, FrozenJobErrorHandler, @@ -17,9 +20,6 @@ get_conv, ) from custodian.cp2k.interpreter import Cp2kModder -from pymatgen.io.cp2k.inputs import Keyword, KeywordList -from pymatgen.io.cp2k.sets import StaticSet - from tests.conftest import TEST_FILES TEST_FILES_DIR = f"{TEST_FILES}/cp2k" diff --git a/tests/cp2k/test_jobs.py b/tests/cp2k/test_jobs.py index ad31a3fb..4ef1d81a 100644 --- a/tests/cp2k/test_jobs.py +++ b/tests/cp2k/test_jobs.py @@ -9,7 +9,6 @@ from custodian import Custodian from custodian.cp2k.jobs import Cp2kJob - from tests.conftest import TEST_FILES MODULE_DIR = Path(__file__).resolve().parent diff --git a/tests/feff/test_handlers.py b/tests/feff/test_handlers.py index ec9b158d..0b46aa49 100644 --- a/tests/feff/test_handlers.py +++ b/tests/feff/test_handlers.py @@ -4,7 +4,6 @@ from glob import glob from custodian.feff.handlers import UnconvergedErrorHandler - from tests.conftest import TEST_FILES __author__ = "Chen Zheng" diff --git a/tests/feff/test_jobs.py b/tests/feff/test_jobs.py index 382bacbb..b8483050 100644 --- a/tests/feff/test_jobs.py +++ b/tests/feff/test_jobs.py @@ -1,10 +1,10 @@ import os -from custodian.feff.jobs import FeffJob from monty.os import cd from monty.tempfile import ScratchDir from pymatgen.io.feff.inputs import Atoms, Tags +from custodian.feff.jobs import FeffJob from tests.conftest import TEST_FILES __author__ = "Chen Zheng" diff --git a/tests/gaussian/test_handlers.py b/tests/gaussian/test_handlers.py index 744d529d..ec75e85e 100644 --- a/tests/gaussian/test_handlers.py +++ b/tests/gaussian/test_handlers.py @@ -6,7 +6,6 @@ from unittest import TestCase from custodian.gaussian.handlers import GaussianErrorHandler, WallTimeErrorHandler - from tests.conftest import TEST_FILES __author__ = "Rasha Atwi" diff --git a/tests/gaussian/test_jobs.py b/tests/gaussian/test_jobs.py index d62d1d1a..8642c78c 100644 --- a/tests/gaussian/test_jobs.py +++ b/tests/gaussian/test_jobs.py @@ -5,7 +5,6 @@ from unittest import TestCase from custodian.gaussian.jobs import GaussianJob - from tests.conftest import TEST_FILES __author__ = "Rasha Atwi" diff --git a/tests/lobster/test_handlers.py b/tests/lobster/test_handlers.py index e20da411..0b5a6dbd 100644 --- a/tests/lobster/test_handlers.py +++ b/tests/lobster/test_handlers.py @@ -1,7 +1,6 @@ import os from custodian.lobster.handlers import ChargeSpillingValidator, EnoughBandsValidator, LobsterFilesValidator - from tests.conftest import TEST_FILES test_files_lobster = f"{TEST_FILES}/lobster/lobsterouts" diff --git a/tests/lobster/test_jobs.py b/tests/lobster/test_jobs.py index 33a6790e..b3d65e18 100644 --- a/tests/lobster/test_jobs.py +++ b/tests/lobster/test_jobs.py @@ -1,10 +1,10 @@ import os import shutil -from custodian.lobster.jobs import LobsterJob from monty.os import cd from monty.tempfile import ScratchDir +from custodian.lobster.jobs import LobsterJob from tests.conftest import TEST_FILES test_files_lobster2 = f"{TEST_FILES}/lobster/lobsterins" diff --git a/tests/nwchem/test_handlers.py b/tests/nwchem/test_handlers.py index f3eeb59d..30bb3701 100644 --- a/tests/nwchem/test_handlers.py +++ b/tests/nwchem/test_handlers.py @@ -3,7 +3,6 @@ from glob import glob from custodian.nwchem.handlers import NwchemErrorHandler - from tests.conftest import TEST_FILES __author__ = "shyuepingong" diff --git a/tests/qchem/test_handlers.py b/tests/qchem/test_handlers.py index bf34f50c..7b439f0c 100644 --- a/tests/qchem/test_handlers.py +++ b/tests/qchem/test_handlers.py @@ -3,9 +3,9 @@ import unittest from unittest import TestCase -from custodian.qchem.handlers import QChemErrorHandler from pymatgen.io.qchem.inputs import QCInput +from custodian.qchem.handlers import QChemErrorHandler from tests.conftest import TEST_FILES try: diff --git a/tests/qchem/test_job_handler_interaction.py b/tests/qchem/test_job_handler_interaction.py index cc6f20c5..a0609f53 100644 --- a/tests/qchem/test_job_handler_interaction.py +++ b/tests/qchem/test_job_handler_interaction.py @@ -3,10 +3,10 @@ import unittest from unittest import TestCase -from custodian.qchem.handlers import QChemErrorHandler -from custodian.qchem.jobs import QCJob from pymatgen.io.qchem.inputs import QCInput +from custodian.qchem.handlers import QChemErrorHandler +from custodian.qchem.jobs import QCJob from tests.conftest import TEST_FILES try: diff --git a/tests/qchem/test_jobs.py b/tests/qchem/test_jobs.py index 5156ad66..1309973a 100644 --- a/tests/qchem/test_jobs.py +++ b/tests/qchem/test_jobs.py @@ -5,9 +5,9 @@ from unittest.mock import patch import pytest -from custodian.qchem.jobs import QCJob from pymatgen.io.qchem.inputs import QCInput +from custodian.qchem.jobs import QCJob from tests.conftest import TEST_FILES try: diff --git a/tests/test_custodian.py b/tests/test_custodian.py index 35f8a2db..24307963 100644 --- a/tests/test_custodian.py +++ b/tests/test_custodian.py @@ -5,6 +5,8 @@ from glob import glob import pytest +from ruamel.yaml import YAML + from custodian.custodian import ( Custodian, ErrorHandler, @@ -17,7 +19,6 @@ ValidationError, Validator, ) -from ruamel.yaml import YAML class ExitCodeJob(Job): diff --git a/tests/vasp/test_handlers.py b/tests/vasp/test_handlers.py index 56a9b91a..e76fbbea 100644 --- a/tests/vasp/test_handlers.py +++ b/tests/vasp/test_handlers.py @@ -6,6 +6,10 @@ from glob import glob import pytest +from monty.os.path import zpath +from pymatgen.io.vasp.inputs import Incar, Kpoints, Structure, VaspInput +from pymatgen.util.testing import PymatgenTest + from custodian.utils import tracked_lru_cache from custodian.vasp.handlers import ( AliasingErrorHandler, @@ -25,10 +29,6 @@ VaspErrorHandler, WalltimeHandler, ) -from monty.os.path import zpath -from pymatgen.io.vasp.inputs import Incar, Kpoints, Structure, VaspInput -from pymatgen.util.testing import PymatgenTest - from tests.conftest import TEST_FILES __author__ = "Shyue Ping Ong, Stephen Dacek, Janosh Riebesell" diff --git a/tests/vasp/test_io.py b/tests/vasp/test_io.py index 06a8ec92..04160a4e 100644 --- a/tests/vasp/test_io.py +++ b/tests/vasp/test_io.py @@ -1,8 +1,8 @@ import pytest -from custodian.utils import tracked_lru_cache -from custodian.vasp.io import load_outcar, load_vasprun from monty.os.path import zpath +from custodian.utils import tracked_lru_cache +from custodian.vasp.io import load_outcar, load_vasprun from tests.conftest import TEST_FILES diff --git a/tests/vasp/test_jobs.py b/tests/vasp/test_jobs.py index 102c0300..fefd8aa0 100644 --- a/tests/vasp/test_jobs.py +++ b/tests/vasp/test_jobs.py @@ -5,11 +5,11 @@ import pymatgen import pytest -from custodian.vasp.jobs import GenerateVaspInputJob, VaspJob, VaspNEBJob from monty.os import cd from monty.tempfile import ScratchDir from pymatgen.io.vasp import Incar, Kpoints, Poscar +from custodian.vasp.jobs import GenerateVaspInputJob, VaspJob, VaspNEBJob from tests.conftest import TEST_FILES pymatgen.core.SETTINGS["PMG_VASP_PSP_DIR"] = TEST_FILES diff --git a/tests/vasp/test_utils.py b/tests/vasp/test_utils.py index 9ea4e753..787df3e8 100644 --- a/tests/vasp/test_utils.py +++ b/tests/vasp/test_utils.py @@ -4,12 +4,12 @@ import numpy as np import pytest -from custodian.vasp.utils import _estimate_num_k_points_from_kspacing, increase_k_point_density from monty.os.path import zpath from pymatgen.core import Lattice, Structure from pymatgen.io.vasp import Kpoints from pymatgen.util.testing import PymatgenTest +from custodian.vasp.utils import _estimate_num_k_points_from_kspacing, increase_k_point_density from tests.conftest import TEST_FILES diff --git a/tests/vasp/test_validators.py b/tests/vasp/test_validators.py index d6ea6adb..23bf3f3a 100644 --- a/tests/vasp/test_validators.py +++ b/tests/vasp/test_validators.py @@ -2,8 +2,8 @@ import shutil import pytest -from custodian.vasp.validators import VaspAECCARValidator, VaspFilesValidator, VaspNpTMDValidator, VasprunXMLValidator +from custodian.vasp.validators import VaspAECCARValidator, VaspFilesValidator, VaspNpTMDValidator, VasprunXMLValidator from tests.conftest import TEST_FILES