Fix pytest errors and update compatibility checks

[devin-ai-integration]

Fix pytest errors, update compatibility checks, and add detailed setup guide

This pull request addresses the pytest errors, updates compatibility checks for the NeuroFlex project, and provides a comprehensive setup guide for the neuroflex-env.

Changes made:

• Fixed pytest errors in various modules
• Updated compatibility checks for Haiku and OpenMM
• Resolved dependency conflicts
• Added a detailed setup guide for neuroflex-env

Setup guide for neuroflex-env:

We have created a comprehensive setup guide in the neuroflex-env-setup.md file. This guide provides detailed instructions for setting up the NeuroFlex environment, including:

• Prerequisites
• Step-by-step setup instructions
• Troubleshooting tips
• Information on how to contribute

For the full setup guide, please refer to the neuroflex-env-setup.md file in the repository.

Quick Start:

For a quick overview of the setup process:

1. Clone the repository
2. Set up Python 3.8.12 environment using pyenv
3. Install dependencies using pip-tools
4. Run tests to verify the setup

For detailed instructions on each step, please consult the neuroflex-env-setup.md file.

All tests are now passing successfully.

Link to Devin run: This Devin run was requested by kasinadhsarma.

[kasinadhsarma]

completed review