Merge pull request #343 from tovrstra/consistent-minimal

Sync with minimal repo setup guide in .github

.pre-commit-config.yaml

@@ -4,15 +4,16 @@ repos:
   rev: v4.6.0
   hooks:
     - id: check-added-large-files
+      args: ["--maxkb=100"]
     - id: check-ast
     - id: check-case-conflict
     - id: check-executables-have-shebangs
     - id: check-json
-    - id: check-yaml
     - id: check-merge-conflict
     - id: check-symlinks
     - id: check-toml
     - id: check-vcs-permalinks
+    - id: check-yaml
     - id: debug-statements
     - id: detect-private-key
     - id: destroyed-symlinks
@@ -26,12 +27,13 @@ repos:
   rev: v1.5.5
   hooks:
     - id: remove-crlf
+      exclude_types: [binary]
 - repo: https://github.com/python-jsonschema/check-jsonschema
   rev: 0.28.5
   hooks:
     - id: check-github-workflows
 - repo: https://github.com/astral-sh/ruff-pre-commit
-  rev: v0.4.8
+  rev: v0.4.9
   hooks:
     - id: ruff-format
     - id: ruff

README.rst

@@ -36,6 +36,7 @@ About
 IOData is a HORTON 3 module for input/output of quantum chemistry file formats.
 Documentation is here: https://iodata.readthedocs.io/ or https://iodata.qcdevs.org/
 
+
 Citation
 --------
 
@@ -47,6 +48,7 @@ Please use the following citation in any publication using IOData library:
     Cools‐Ceuppens, V. Chuiko, E. Vohringer‐Martinez,P. W. Ayers, F. Heidar‐Zadeh,
     `J Comput Chem. 2021; 42: 458– 464 <https://doi.org/10.1002/jcc.26468>`__.
 
+
 Installation
 ------------
 
@@ -61,6 +63,15 @@ and the upcoming stable release 1.0.0.
 
 See https://iodata.readthedocs.io/en/latest/install.html for full details.
 
+
+Contributing
+------------
+
+We welcome contributions of all kinds,
+such as new features, improvements, bug fixes, and documentation clarifications.
+Please read our `Contributor Guide`_ and `Code of Conduct`_ for more details.
+
+
 .. |pytest| image:: https://github.com/theochem/iodata/actions/workflows/pytest.yaml/badge.svg
     :target: https://github.com/theochem/iodata/actions/workflows/pytest.yaml
 .. |release| image:: https://github.com/theochem/iodata/actions/workflows/release.yaml/badge.svg
@@ -72,3 +83,5 @@ See https://iodata.readthedocs.io/en/latest/install.html for full details.
 .. |PyPI| image:: https://img.shields.io/pypi/v/qc-iodata.svg
     :target: https://pypi.python.org/pypi/qc-iodata/
 .. _virtual environment: https://docs.python.org/3/tutorial/venv.html
+.. _Contributor Guide: https://iodata.qcdevs.org/contributing.html
+.. _Code of Conduct: https://github.com/theochem/.github/blob/main/CODE_OF_CONDUCT.md

docs/contributing.rst

@@ -22,7 +22,7 @@
 
 .. _contributing:
 
-Contributing Guide
-==================
+Contributor Guide
+=================
 
 .. include:: ../CONTRIBUTING.rst