This package contains the software to automate the workflow of APBS and PDB2PQR using Amazon Web Services. For more information, please see
- Home page: http://www.poissonboltzmann.org/
- Documentation: http://apbs-aws.readthedocs.io
Python 3.10 or newer is required, including for Ansible dependencies. The patched urllib3 dependency no longer supports Python 3.8 or 3.9. To setup a development environment, enter your Python3 environment of choice (e.g. virtualenv, conda, etc.). From the top of the repository in your terminal, enter the following:
pip install -e .[dev,test]This will install all the necessary packages to develop and test the APBS-AWS software. Check setup.py to view the list of packages.
The legacy Ansible Lambda configuration still specifies Python 3.6. It must be migrated to a supported runtime and validated before deployment with these dependencies.