chore: update pre-commit hooks (#11)

* chore: update pre-commit hooks

updates:
- [github.com/pre-commit/pre-commit-hooks: v4.6.0 → v5.0.0](pre-commit/pre-commit-hooks@v4.6.0...v5.0.0)
- [github.com/astral-sh/ruff-pre-commit: v0.5.0 → v0.6.9](astral-sh/ruff-pre-commit@v0.5.0...v0.6.9)
- [github.com/abravalheri/validate-pyproject: v0.18 → v0.20.2](abravalheri/validate-pyproject@v0.18...v0.20.2)
- [github.com/python-jsonschema/check-jsonschema: 0.28.6 → 0.29.3](python-jsonschema/check-jsonschema@0.28.6...0.29.3)

* Reformat README

---------

Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Co-authored-by: Daniel Hollas <[email protected]>

.pre-commit-config.yaml

@@ -5,7 +5,7 @@ ci:
 
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: "v4.6.0"
+    rev: "v5.0.0"
     hooks:
       - id: check-added-large-files
 
@@ -17,7 +17,7 @@ repos:
         args: [--prose-wrap=always]
 
   - repo: https://github.com/astral-sh/ruff-pre-commit
-    rev: "v0.5.0"
+    rev: "v0.6.9"
     hooks:
       - id: ruff
         args: ["--fix", "--exit-non-zero-on-fix", "--show-fixes"]
@@ -30,13 +30,13 @@ repos:
       #  files: src
 
   - repo: https://github.com/abravalheri/validate-pyproject
-    rev: "v0.18"
+    rev: "v0.20.2"
     hooks:
       - id: validate-pyproject
         additional_dependencies: ["validate-pyproject-schema-store[all]"]
 
   - repo: https://github.com/python-jsonschema/check-jsonschema
-    rev: "0.28.6"
+    rev: "0.29.3"
     hooks:
       - id: check-dependabot
       - id: check-github-workflows

README.md

@@ -21,24 +21,28 @@ be available as a Python package on PyPI :warning: **
 
 ## Installation
 
-Harmonwig is a simple Python CLI application, but it does rely on some other Python libraries that needs to be installed together.
-Currently, the package is not yet available on PyPI, but it can still be installed directly from GitHub.
-We recommend using `pipx`, which automatically creates an isolated Python environment and makes harmonwig available globally.
+Harmonwig is a simple Python CLI application, but it does rely on some other
+Python libraries that needs to be installed together. Currently, the package is
+not yet available on PyPI, but it can still be installed directly from GitHub.
+We recommend using `pipx`, which automatically creates an isolated Python
+environment and makes harmonwig available globally.
 
 ```console
 $ pip install pipx
 $ pipx install "harmonwig @ git+https://github.com/ispg-group/harmonwig.git"
 ```
 
 To upgrade harmonwig to the latest version run:
+
 ```console
 pipx upgrade harmonwig
 ```
 
 ## Usage
 
-Harmonwig currently supports reading normal modes and frequency data from ORCA output files.
-To generate 500 hundred sampled geometries from output file `orca_freq.out` run:
+Harmonwig currently supports reading normal modes and frequency data from ORCA
+output files. To generate 500 hundred sampled geometries from output file
+`orca_freq.out` run:
 
 ```console
 harmonwig -n 500 orca_freq.out
@@ -63,5 +67,5 @@ options:
   --freqthr LOW_FREQ_THR
                         Low-frequency threshold
   -o OUTPUT_FNAME, --output-file OUTPUT_FNAME
-                        Output file name 
+                        Output file name
 ```