Installation

Requirements

  • Python 3.9 or later

  • RDKit ≥ 2023.9

  • NumPy ≥ 1.24

  • SciPy ≥ 1.10

  • NetworkX ≥ 3.1

From PyPI

pip install biochar

Note

On some platforms the rdkit wheel from PyPI may not be available. If the install fails, use the conda route above.

Development install

Clone the repository and install in editable mode with all dev dependencies:

git clone https://github.com/jolayfield/Biochar-simulator.git
cd Biochar-simulator
pip install -e ".[dev]"

Verify the installation by running the test suite:

pytest tests/ -v