Installation

Requirements

• Python >= 3.12

• Cantera >= 3.0 (available via conda-forge)

• NumPy, SciPy, Matplotlib

Cantera is distributed through conda-forge, so a conda (or mamba/micromamba) environment is recommended.

Setup

1. Create the conda environment:

   conda env create -f environment.yml
   conda activate ta_env
   

2. Install the package in editable mode:

   pip install -e .
   

3. Verify the installation:

   pytest
   

Quick check

from ta import TASimulator

sim = TASimulator(mechanism="gri30.yaml", sample_composition="CH4:1")
result = sim.run()
print(f"Recorded {len(result.time_s)} time steps")