From 5052a4adeabf6d1370bb3554633878913a27019c Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Tue, 7 Jan 2025 01:21:58 +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: v4.6.0 → v5.0.0](https://github.com/pre-commit/pre-commit-hooks/compare/v4.6.0...v5.0.0)
- [github.com/asottile/pyupgrade: v3.16.0 → v3.19.1](https://github.com/asottile/pyupgrade/compare/v3.16.0...v3.19.1)
- [github.com/psf/black: 24.4.2 → 24.10.0](https://github.com/psf/black/compare/24.4.2...24.10.0)
- [github.com/PyCQA/flake8: 7.1.0 → 7.1.1](https://github.com/PyCQA/flake8/compare/7.1.0...7.1.1)
- [github.com/pre-commit/mirrors-mypy: v1.10.1 → v1.14.1](https://github.com/pre-commit/mirrors-mypy/compare/v1.10.1...v1.14.1)
- [github.com/asottile/setup-cfg-fmt: v2.5.0 → v2.7.0](https://github.com/asottile/setup-cfg-fmt/compare/v2.5.0...v2.7.0)
- [github.com/kynan/nbstripout: 0.7.1 → 0.8.1](https://github.com/kynan/nbstripout/compare/0.7.1...0.8.1)
- [github.com/nbQA-dev/nbQA: 1.8.5 → 1.9.1](https://github.com/nbQA-dev/nbQA/compare/1.8.5...1.9.1)
---
 .pre-commit-config.yaml | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 6c0e50f..28094a5 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -4,7 +4,7 @@ ci:
 
 repos:
     - repo: https://github.com/pre-commit/pre-commit-hooks
-      rev: v4.6.0
+      rev: v5.0.0
       hooks:
           - id: end-of-file-fixer
           - id: trailing-whitespace
@@ -21,17 +21,17 @@ repos:
       hooks:
           - id: autoflake
     - repo: https://github.com/asottile/pyupgrade
-      rev: v3.16.0
+      rev: v3.19.1
       hooks:
           - id: pyupgrade
             args: [--py38-plus]
     - repo: https://github.com/psf/black
-      rev: 24.4.2
+      rev: 24.10.0
       hooks:
           - id: black
             language_version: python3 # Should be a command that runs python3.6+
     - repo: https://github.com/PyCQA/flake8
-      rev: 7.1.0
+      rev: 7.1.1
       hooks:
           - id: flake8
             args: [--count, --show-source, --statistics]
@@ -45,7 +45,7 @@ repos:
                 - pyflakes
                 - tryceratops
     - repo: https://github.com/pre-commit/mirrors-mypy
-      rev: v1.10.1
+      rev: v1.14.1
       hooks:
           - id: mypy
             additional_dependencies:
@@ -58,16 +58,16 @@ repos:
       hooks:
           - id: yamlfmt
     - repo: https://github.com/asottile/setup-cfg-fmt
-      rev: v2.5.0
+      rev: v2.7.0
       hooks:
           - id: setup-cfg-fmt
     - repo: https://github.com/kynan/nbstripout
-      rev: 0.7.1
+      rev: 0.8.1
       hooks:
           - id: nbstripout
 
     - repo: https://github.com/nbQA-dev/nbQA
-      rev: 1.8.5
+      rev: 1.9.1
       hooks:
           - id: nbqa-pyupgrade
             args: [--py38-plus]

From 77d80277022cf5d6bec813b2fc05e3e6d88d6a8e Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Tue, 7 Jan 2025 01:22:55 +0000
Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
---
 setup.cfg | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/setup.cfg b/setup.cfg
index 25af957..7044445 100644
--- a/setup.cfg
+++ b/setup.cfg
@@ -28,7 +28,7 @@ install_requires =
     aiidalab-widgets-base[smiles]~=2.1
     ase~=3.21
     rdkit>=2023.03.1
-python_requires = >=3.8
+python_requires = >=3.9
 
 [options.extras_require]
 dev =