From 45f671be46216005f9ccc8a6b04a98d09cf832ff Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 19 Jan 2026 19:36:51 +0000 Subject: [PATCH 1/2] [pre-commit.ci] pre-commit autoupdate MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit updates: - https://github.com/psf/black → https://github.com/psf/black-pre-commit-mirror - [github.com/psf/black-pre-commit-mirror: 22.8.0 → 26.1.0](https://github.com/psf/black-pre-commit-mirror/compare/22.8.0...26.1.0) - https://github.com/timothycrosley/isort → https://github.com/PyCQA/isort - [github.com/PyCQA/isort: 5.10.1 → 7.0.0](https://github.com/PyCQA/isort/compare/5.10.1...7.0.0) - https://github.com/charliermarsh/ruff-pre-commit → https://github.com/astral-sh/ruff-pre-commit - [github.com/astral-sh/ruff-pre-commit: v0.0.133 → v0.14.13](https://github.com/astral-sh/ruff-pre-commit/compare/v0.0.133...v0.14.13) --- .pre-commit-config.yaml | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 7097652..f216be2 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -1,19 +1,19 @@ exclude: '.git|.tox' -default_stages: [commit] +default_stages: [pre-commit] fail_fast: true repos: - - repo: https://github.com/psf/black - rev: 22.8.0 + - repo: https://github.com/psf/black-pre-commit-mirror + rev: 26.1.0 hooks: - id: black - - repo: https://github.com/timothycrosley/isort - rev: 5.10.1 + - repo: https://github.com/PyCQA/isort + rev: 7.0.0 hooks: - id: isort - - repo: https://github.com/charliermarsh/ruff-pre-commit - rev: v0.0.133 + - repo: https://github.com/astral-sh/ruff-pre-commit + rev: v0.14.13 hooks: - id: ruff From 36c158d28617c26d6c7d0c80e782e4faa4c6b938 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 19 Jan 2026 19:37:05 +0000 Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- ase_md/__init__.py | 1 + ase_md/simulator.py | 1 + tests/test_asemd.py | 1 + 3 files changed, 3 insertions(+) diff --git a/ase_md/__init__.py b/ase_md/__init__.py index b0e8f49..aac0e46 100644 --- a/ase_md/__init__.py +++ b/ase_md/__init__.py @@ -1,4 +1,5 @@ """ASE MD package.""" + import importlib.metadata import logging import sys diff --git a/ase_md/simulator.py b/ase_md/simulator.py index 2a72be5..c427735 100644 --- a/ase_md/simulator.py +++ b/ase_md/simulator.py @@ -5,6 +5,7 @@ https://wiki.fysik.dtu.dk/ase/tutorials/md/md.html """ + import typing import ase diff --git a/tests/test_asemd.py b/tests/test_asemd.py index d69bf1b..2f87118 100644 --- a/tests/test_asemd.py +++ b/tests/test_asemd.py @@ -1,4 +1,5 @@ """Test the ASEMD package.""" + import ase import ase_md