Prospr is a universal toolbox for protein structure prediction within the HP-model. The Python package is based on a C++ core, which gives Prospr its high performance. The C++ core is made available as a separate zip file to facilitate high-performance computing applications. The package comes with many prediction algorithms and datasets to use.
The build version of the code needs to be tested. In order to do so, a tool like pytest needs to be used to perform tests. The tests need to be added to the CI workflow.
Make a decision on how to speed up the CI. Non-master pushes do not need all wheel builds, maybe only do a ubuntu-32bit build, or a 64-bit build on all platforms.
Cibuildwheels gives the error that a [project] section inside pyproject.toml file is invalid for Python 11. See what is the issue and fix it to support Python11.
The core code is available as from prospr import prospr_core instead of directly as from prosper import ....
The visualize code needs to be tested on importability, as well as the helper code.
As a side task, the visualize code also needs to be tested on functionality.
Change auto-zipping to support multiple archive types. Create a separate folder for the zips as well, which is referenced in the README. Also change the pre-commit file to be in a .githooks folder instead of the github folder.