Installation

To utilize the CyRxnOpt Library, follow the steps below for either pip or manual installation:

via Pip

1. If you have not already, it is recommended to use a virtual environment for your project:

   python -m venv venv
   

2. If you created a virtual environment, activate it:

   source venv/bin/activate  # On Unix or MacOS
   .\venv\Scripts\activate   # On Windows
   

3. Install the CyRxnOpt library from PyPI using pip:

   pip install cyrxnopt
   

   Note

   You can also add cyrxnopt to your project’s dependency list in requirements.txt, pyproject.toml, or setup.cfg for automatic installation with your project.

via Source Code (Manual)

1. Clone the repository:

   git clone https://github.com/RxnRover/CyRxnOpt.git
   

2. Navigate to the library directory:

   cd CyRxnOpt
   

3. Create a virtual environment:

   python -m venv venv
   

4. Activate the virtual environment:

   source venv/bin/activate  # On Unix or MacOS
   .\venv\Scripts\activate   # On Windows
   

5. Install the library:

   pip install .