Deployment of a new release

This section describes how create and deploy a release build of the Biotite package and documentation. Therefore, this section primarily addresses the maintainers of the project.

CCD update

biotite.structure.info bundles selected information from the Chemical Component Dictionary (CCD). From time to time, this dataset needs an update to include new components added to the CCD. This is achieved by running setup_ccd.py.

Creating a new release

When a new GitHub release is created, the CI jobs building the distributions and documentation in test_and_deploy.yml are triggered. After the successful completion of these jobs, the artifacts are added to the release. The distributions for different platforms and Python versions are automatically uploaded to PyPI.

Conda release

Some time after the release on GitHub, the conda-forge bot will also create an automatic pull request for the new release of the Conda package. If no dependencies changed, this pull request can usually be merged without further effort.

Documentation website

The final step of the deployment is putting the directory containing the built documentation onto the server hosting the website.

The document root of the website should look like this:

├─ .htaccess
├─ latest -> x.y.z/
├─ x.y.z/
│  ├─ index.html
│  ├─ ...
├─ a.b.c/
   ├─ index.html
   ├─ ...

x.y.z/ and a.b.c/ represent the documentation directories for two different Biotite release versions.

.htaccess should have the following content:

RewriteBase /
RewriteEngine On
# Redirect if page name does not start with 'latest' or version identifier
RewriteRule ^(?!latest|\d+\.\d+\.\d+|robots.txt)(.*) latest/$1 [R=301,L]

ErrorDocument 404 /latest/404.html