diff --git a/.github/workflows/build_docs.yaml b/.github/workflows/build_docs.yaml index e55108a4..fc88e6c1 100644 --- a/.github/workflows/build_docs.yaml +++ b/.github/workflows/build_docs.yaml @@ -4,6 +4,7 @@ on: push: branches: - main + workflow_dispatch: jobs: build-documentation: @@ -28,7 +29,7 @@ jobs: run: python -m pip install --no-deps -vv ./ - name: Install sphinx - run: mamba install -y sphinx=7.2.4 pydata-sphinx-theme + run: mamba install -y sphinx=7.2.4 pydata-sphinx-theme sphinx-favicon # 09/11/2023: sphinx 7.2.5 has an issue with numpy https://github.com/sphinx-doc/sphinx/issues/11662 - name: Mamba info diff --git a/README.md b/README.md index 96cef20d..34300459 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,7 @@ -# RDMC (Reaction Data and Molecular Conformer) +![RDMC Logo](docs/source/_static/RDMC_icon.svg) +# Reaction Data and Molecular Conformer -[![Documentation Status](https://readthedocs.org/projects/rdmc/badge/?version=latest)](https://rdmc.readthedocs.io/en/latest/?badge=latest) +[![Documentation](https://github.com/xiaoruiDong/RDMC/actions/workflows/build_docs.yaml/badge.svg)](https://xiaoruidong.github.io/RDMC/) [![MIT license](http://img.shields.io/badge/license-MIT-brightgreen.svg)](http://opensource.org/licenses/MIT) A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers. diff --git a/docs/source/_static/RDMC_icon.svg b/docs/source/_static/RDMC_icon.svg new file mode 100644 index 00000000..9708c611 --- /dev/null +++ b/docs/source/_static/RDMC_icon.svg @@ -0,0 +1,217 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + diff --git a/docs/source/_static/RDMC_icon_simple_240x240.png b/docs/source/_static/RDMC_icon_simple_240x240.png new file mode 100644 index 00000000..6c2ceaa9 Binary files /dev/null and b/docs/source/_static/RDMC_icon_simple_240x240.png differ diff --git a/docs/source/conf.py b/docs/source/conf.py index 4cecd23e..fe8696ad 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -36,6 +36,7 @@ 'sphinx.ext.napoleon', # support for NumPy and Google style docstrings 'sphinx.ext.todo', # include to do 'sphinx.ext.coverage', + 'sphinx_favicon', ] # Add any paths that contain templates here, relative to this directory. @@ -74,6 +75,15 @@ html_css_files = [ 'custom.css', ] +html_logo = '_static/RDMC_icon.svg' + +# Add favicon +favicons = { + "rel": "icon", + "sizes": "240x240", + "href": "RDMC_icon_simple_240x240.png", # use a local file in _static + "type": "image/png" +} # -- Packages that are not importable from the default environment --------- diff --git a/docs/source/index.rst b/docs/source/index.rst index e889cb9c..736fe3df 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -1,6 +1,9 @@ RDMC Documentation =================== +.. image:: _static/RDMC_icon.svg + :align: center + **RDMC (Reaction Data and Molecular Conformer)** is an open-source lightweight software package specialized in handling Reaction Data and Molecular (including transition states) Conformers. It contains various modules and classes (e.g., ``RDKitMol``, ``Reaction``, ``view``) helpful for relevant tasks to make conversion, visualization, manipulation, and analysis of molecules easier. diff --git a/docs/source/reference/rdmc.rst b/docs/source/reference/rdmc.rst index 0d6152c7..a135176c 100644 --- a/docs/source/reference/rdmc.rst +++ b/docs/source/reference/rdmc.rst @@ -1,5 +1,5 @@ -rdmc -==== +RDMC APIs +========= .. automodule:: rdmc :members: