Installation

  1. To avoid dependency conflicts it is reccomended to use a python environment e.g:

    `conda create -n thermoflux python=3.11`

    `conda activate thermoflux`

  2. Now thermo_flux can be safely installed. Clone the thermo_flux repository and navigate to the thermo_flux directory:

    `git clone https://github.com/tednsmith/thermo_flux.git`

    `cd thermo_flux`

  3. For development use the -e flag (for an editable install), navigate to where you cloned the thermo_flux directory and run:

    `python -m pip install -e .`

  4. For thermodynamic optimisations, ensure a Gurobi license is installed correctly [(free for academics)](https://www.gurobi.com/academia/academic-program-and-licenses/):

    `conda install -c gurobi gurobi`