From 3e37b885f993ef6b5e468ed2cb3c32e76e782728 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 3 Feb 2025 23:04:16 +0100 Subject: [PATCH] [pre-commit.ci] pre-commit autoupdate (#198) --- .pre-commit-config.yaml | 4 ++-- src/dxtb/_src/calculators/types/decorators.py | 2 +- test/test_components/test_cache.py | 2 +- test/test_interaction/test_cache.py | 2 +- test/test_overlap/test_cgto_ortho_data.py | 2 +- 5 files changed, 6 insertions(+), 6 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 781c3ddb..3de19526 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -41,14 +41,14 @@ repos: args: [--py37-plus, --keep-runtime-typing] - repo: https://github.com/pycqa/isort - rev: 5.13.2 + rev: 6.0.0 hooks: - id: isort name: isort (python) args: ["--profile", "black", "--line-length", "80", "--filter-files"] - repo: https://github.com/psf/black - rev: 24.10.0 + rev: 25.1.0 hooks: - id: black args: ["--line-length", "80"] diff --git a/src/dxtb/_src/calculators/types/decorators.py b/src/dxtb/_src/calculators/types/decorators.py index 322a53ad..4355c44b 100644 --- a/src/dxtb/_src/calculators/types/decorators.py +++ b/src/dxtb/_src/calculators/types/decorators.py @@ -61,7 +61,7 @@ def requires_positions_grad( - func: Callable[..., Tensor] + func: Callable[..., Tensor], ) -> Callable[..., Tensor]: @wraps(func) def wrapper( diff --git a/test/test_components/test_cache.py b/test/test_components/test_cache.py index 139ff991..81c11ee6 100644 --- a/test/test_components/test_cache.py +++ b/test/test_components/test_cache.py @@ -42,7 +42,7 @@ ], ) def test_fail_overwritten_cache( - comp_factory_par: tuple[Callable[[Tensor, Param], Classical], Param] + comp_factory_par: tuple[Callable[[Tensor, Param], Classical], Param], ) -> None: numbers = torch.tensor([3, 1], device=DEVICE) ihelp = IndexHelper.from_numbers(numbers, GFN1_XTB) diff --git a/test/test_interaction/test_cache.py b/test/test_interaction/test_cache.py index 19afc228..5804bbac 100644 --- a/test/test_interaction/test_cache.py +++ b/test/test_interaction/test_cache.py @@ -43,7 +43,7 @@ ], ) def test_fail_overwritten_cache( - comp_factory_par: tuple[Callable[[Tensor, Param], Interaction], Param] + comp_factory_par: tuple[Callable[[Tensor, Param], Interaction], Param], ) -> None: numbers = torch.tensor([3, 1], device=DEVICE) positions = torch.tensor([[0.0, 0.0, 0.0], [1.0, 0.0, 0.0]], device=DEVICE) diff --git a/test/test_overlap/test_cgto_ortho_data.py b/test/test_overlap/test_cgto_ortho_data.py index 5ddea6f4..d9a19720 100644 --- a/test/test_overlap/test_cgto_ortho_data.py +++ b/test/test_overlap/test_cgto_ortho_data.py @@ -14,7 +14,7 @@ # WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. # See the License for the specific language governing permissions and # limitations under the License. -""" Reference data for CGTO orthogonalization test. """ +"""Reference data for CGTO orthogonalization test.""" from __future__ import annotations