Installation
Requirements
Python 3.9 or later
RDKit ≥ 2023.9
NumPy ≥ 1.24
SciPy ≥ 1.10
NetworkX ≥ 3.1
conda (recommended)
biochar is available on conda-forge and installs all dependencies,
including RDKit, in a single command:
conda install -c conda-forge biochar
To install into a fresh environment:
conda create -n biochar -c conda-forge biochar
conda activate biochar
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