Installation
Using the PIP package
A PIP package is available on pypi and can be installed with:
pip install thermontfa
If you want to install optional dependencies for development:
pip install thermontfa[dev]
From this repository
The most recent version of the PIP package can also be installed directly after cloning this repository.
git clone https://github.com/DataAnalyticsEngineering/ThermoNTFA.git
cd ThermoNTFA
pip install -e .
If you want to install optional dependencies for development:
git clone https://github.com/DataAnalyticsEngineering/ThermoNTFA.git
cd ThermoNTFA
pip install -e ".[dev]"
Requirements
Python 3.10 or later
numpy
andh5py
(installed as part of thethermontfa
PIP package)
All necessary data can be downloaded from DaRUS using the script download_data.sh
.