From 8d64bf05f5cb302222883e34c57bf97904e88351 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 9 Dec 2024 23:39:39 +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: - [github.com/pre-commit/pre-commit-hooks: v4.1.0 → v5.0.0](https://github.com/pre-commit/pre-commit-hooks/compare/v4.1.0...v5.0.0) - [github.com/kynan/nbstripout: 0.6.1 → 0.8.1](https://github.com/kynan/nbstripout/compare/0.6.1...0.8.1) - [github.com/astral-sh/ruff-pre-commit: v0.4.1 → v0.8.2](https://github.com/astral-sh/ruff-pre-commit/compare/v0.4.1...v0.8.2) --- .pre-commit-config.yaml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index b3abffa3..f3c8008f 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -2,7 +2,7 @@ repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v4.1.0 + rev: v5.0.0 hooks: - id: check-json - id: check-yaml @@ -15,12 +15,12 @@ repos: exclude: *exclude_pre_commit_hooks - repo: https://github.com/kynan/nbstripout - rev: 0.6.1 + rev: 0.8.1 hooks: - id: nbstripout - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.4.1 + rev: v0.8.2 hooks: - id: ruff-format exclude: &exclude_ruff > From 4ba9d275d32a89f7ca19ed34e7823c347bf65f59 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Mon, 9 Dec 2024 23:39:47 +0000 Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- src/aiida_sssp_workflow/protocol/convergence.yml | 2 +- src/aiida_sssp_workflow/protocol/criteria.yml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/src/aiida_sssp_workflow/protocol/convergence.yml b/src/aiida_sssp_workflow/protocol/convergence.yml index af8af6dc..bd1c66e5 100644 --- a/src/aiida_sssp_workflow/protocol/convergence.yml +++ b/src/aiida_sssp_workflow/protocol/convergence.yml @@ -40,7 +40,7 @@ fine: base: # base parameters is inherit by other process occupations: smearing - degauss: 0.0125 + degauss: 0.0125 smearing: fd conv_thr_per_atom: 1.0e-9 kpoints_distance: 0.1 # fine protocol of qe -> gabriel diff --git a/src/aiida_sssp_workflow/protocol/criteria.yml b/src/aiida_sssp_workflow/protocol/criteria.yml index 52cb9256..769c8ac0 100644 --- a/src/aiida_sssp_workflow/protocol/criteria.yml +++ b/src/aiida_sssp_workflow/protocol/criteria.yml @@ -78,7 +78,7 @@ efficiency: eos: mode: 0 - bounds: [0.0, 0.2] + bounds: [0.0, 0.2] eps: 1.0e-3 phonon_frequencies: