From 99307ed820267e80c7cc6e8b3c3fe73b65811fad Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 3 Mar 2025 20:02:45 +0000 Subject: [PATCH 1/2] pre-commit autoupdate MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit updates: - [github.com/astral-sh/ruff-pre-commit: v0.9.6 → v0.9.9](https://github.com/astral-sh/ruff-pre-commit/compare/v0.9.6...v0.9.9) - [github.com/pre-commit/pre-commit-hooks: v4.6.0 → v5.0.0](https://github.com/pre-commit/pre-commit-hooks/compare/v4.6.0...v5.0.0) - [github.com/pre-commit/mirrors-mypy: v1.10.1 → v1.15.0](https://github.com/pre-commit/mirrors-mypy/compare/v1.10.1...v1.15.0) - [github.com/codespell-project/codespell: v2.3.0 → v2.4.1](https://github.com/codespell-project/codespell/compare/v2.3.0...v2.4.1) - [github.com/MarcoGorelli/cython-lint: v0.16.2 → v0.16.6](https://github.com/MarcoGorelli/cython-lint/compare/v0.16.2...v0.16.6) - [github.com/adamchainz/blacken-docs: 1.16.0 → 1.19.1](https://github.com/adamchainz/blacken-docs/compare/1.16.0...1.19.1) - [github.com/igorshubovych/markdownlint-cli: v0.41.0 → v0.44.0](https://github.com/igorshubovych/markdownlint-cli/compare/v0.41.0...v0.44.0) - [github.com/kynan/nbstripout: 0.7.1 → 0.8.1](https://github.com/kynan/nbstripout/compare/0.7.1...0.8.1) - [github.com/RobertCraigie/pyright-python: v1.1.369 → v1.1.396](https://github.com/RobertCraigie/pyright-python/compare/v1.1.369...v1.1.396) --- .pre-commit-config.yaml | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index baef151..21bc2b4 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -8,26 +8,26 @@ ci: repos: - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.9.6 + rev: v0.9.9 hooks: - id: ruff args: [ --fix, --unsafe-fixes ] - 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: end-of-file-fixer - id: trailing-whitespace - repo: https://github.com/pre-commit/mirrors-mypy - rev: v1.10.1 + rev: v1.15.0 hooks: - id: mypy - repo: https://github.com/codespell-project/codespell - rev: v2.3.0 + rev: v2.4.1 hooks: - id: codespell stages: [ pre-commit, commit-msg ] @@ -35,19 +35,19 @@ repos: additional_dependencies: [ tomli ] # needed to read pyproject.toml below py3.11 - repo: https://github.com/MarcoGorelli/cython-lint - rev: v0.16.2 + rev: v0.16.6 hooks: - id: cython-lint args: [ --no-pycodestyle ] - id: double-quote-cython-strings - repo: https://github.com/adamchainz/blacken-docs - rev: 1.16.0 + rev: 1.19.1 hooks: - id: blacken-docs - repo: https://github.com/igorshubovych/markdownlint-cli - rev: v0.41.0 + rev: v0.44.0 hooks: - id: markdownlint # MD013: line too long @@ -58,12 +58,12 @@ repos: args: [ --disable, MD013, MD024, MD025, MD033, MD041, "--" ] - repo: https://github.com/kynan/nbstripout - rev: 0.7.1 + rev: 0.8.1 hooks: - id: nbstripout args: [ --drop-empty-cells, --keep-output ] - repo: https://github.com/RobertCraigie/pyright-python - rev: v1.1.369 + rev: v1.1.396 hooks: - id: pyright From 13694a96e7f0780de00dd9a63570dd701b208ec8 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 3 Mar 2025 20:03:53 +0000 Subject: [PATCH 2/2] pre-commit auto-fixes --- examples/neb_idpp_solver.ipynb | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/examples/neb_idpp_solver.ipynb b/examples/neb_idpp_solver.ipynb index ad02483..e57344c 100644 --- a/examples/neb_idpp_solver.ipynb +++ b/examples/neb_idpp_solver.ipynb @@ -18,8 +18,7 @@ "init_struct = Structure.from_file(os.path.join(dirname, \"CONTCAR-0\"), False)\n", "final_struct = Structure.from_file(os.path.join(dirname, \"CONTCAR-1\"), False)\n", "\n", - "obj = IDPPSolver.from_endpoints(endpoints=[init_struct, final_struct], nimages=3,\n", - " sort_tol=1.0)\n", + "obj = IDPPSolver.from_endpoints(endpoints=[init_struct, final_struct], nimages=3, sort_tol=1.0)\n", "new_path = obj.run(maxiter=5000, tol=1e-5, gtol=1e-3, species=[\"Li\"])" ] }