From bad4611005d1959bb2feda76b0d0d2d69a33720f Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Wed, 19 Jun 2024 11:37:06 +0200 Subject: [PATCH 1/3] Sync with minimal repo setup guide in .github --- .pre-commit-config.yaml | 6 ++++-- LICENSE => LICENSE.txt | 0 README.rst | 13 +++++++++++++ 3 files changed, 17 insertions(+), 2 deletions(-) rename LICENSE => LICENSE.txt (100%) diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index 8f3c1f17f..7a6454b68 100644 --- a/.pre-commit-config.yaml +++ b/.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 diff --git a/LICENSE b/LICENSE.txt similarity index 100% rename from LICENSE rename to LICENSE.txt diff --git a/README.rst b/README.rst index 5a63aa363..48271ff05 100644 --- a/README.rst +++ b/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 `__. + 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, clarification of documentation, and so on. +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://github.com/theochem/.github/blob/main/CONTRIBUTING.md +.. _Code of Conduct: https://github.com/theochem/.github/blob/main/CODE_OF_CONDUCT.md From f13c7414715cfec03ccd94746b6c962d8fc98822 Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Wed, 19 Jun 2024 11:42:58 +0200 Subject: [PATCH 2/3] Update README.rst Co-authored-by: sourcery-ai[bot] <58596630+sourcery-ai[bot]@users.noreply.github.com> --- README.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.rst b/README.rst index 48271ff05..b47d6c840 100644 --- a/README.rst +++ b/README.rst @@ -68,7 +68,7 @@ Contributing ------------ We welcome contributions of all kinds, -such as new features, improvements, bug fixes, clarification of documentation, and so on. +such as new features, improvements, bug fixes, and documentation clarifications. Please read our `Contributor Guide`_ and `Code of Conduct`_ for more details. From d11a4df7847174b7c46b0de75106305be51043bb Mon Sep 17 00:00:00 2001 From: Toon Verstraelen Date: Wed, 19 Jun 2024 18:06:27 +0200 Subject: [PATCH 3/3] Link to IOData's contributor guide, which refers to the default --- README.rst | 2 +- docs/contributing.rst | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/README.rst b/README.rst index b47d6c840..0e6a5981e 100644 --- a/README.rst +++ b/README.rst @@ -83,5 +83,5 @@ Please read our `Contributor Guide`_ and `Code of Conduct`_ for more 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://github.com/theochem/.github/blob/main/CONTRIBUTING.md +.. _Contributor Guide: https://iodata.qcdevs.org/contributing.html .. _Code of Conduct: https://github.com/theochem/.github/blob/main/CODE_OF_CONDUCT.md diff --git a/docs/contributing.rst b/docs/contributing.rst index e65f0413b..d4154aea2 100644 --- a/docs/contributing.rst +++ b/docs/contributing.rst @@ -22,7 +22,7 @@ .. _contributing: -Contributing Guide -================== +Contributor Guide +================= .. include:: ../CONTRIBUTING.rst