Crystal Structure Prediction with Rydberg Atom Arrays

Setting up the Python Environment

1. Create a python environment on your device using .venv or conda.

mkdir <PATH>/cspraa/.venv
python -m venv <PATH>/cspraa/.venv

2. Enter the environment.

<PATH>/cspraa/.venv/Scripts/activate

3. Install the requirements for the environment.

pip install -e .

Updating the Setup.py File

If you intend to add dependencies to the repository by installing packages through pip, please consider updating requirements.txt and setup.py so that the entire team can use a consistent set of packages.

Use https://pypi.org/project/setuppy-generator/

cd <PATH>/cspraa/
pip install -e .
pip freeze > requirements.txt
python -m setuppy_generator > setup.py