Installation

Install dependency

• PyTorch

  See https://pytorch.org/get-started/locally/

• Cantera >= 2.5.0

  With conda

  conda install -c cantera/label/dev cantera

• ruamel.yaml

  With conda

  conda install -c conda-forge ruamel.yaml

Install ReacTorch

From source code

git clone git@github.com:DENG-MIT/reactorch.git
cd reactorch
python setup.py install

For temporary development, you can point the package to the development folder after uninstalling the package

pip uninstall reactorch
export PYTHONPATH=<full-path-to-cloned-folder>:$PYTHONPATH

Test Installation

Run the auto-ignition case in the folder "example". Run the test codes in the folder tests