Installation#
Stable release#
Use one of the following to install thermoextrap
:
conda install -c conda-forge thermoextrap
or
pip install thermoextrap
Additional dependencies#
To utilize the full potential of thermoextrap
, additional dependencies are
needed. This can be done via pip by using:
pip install thermoextrap[all]
If using conda, then you’ll have to manually install some dependencies. For example, you can run:
conda install bottleneck dask "pymbar>=4.0"
At this time, it is recommended to install the Gaussian Process Regression (GPR) dependencies via pip, as the conda-forge recipes are slightly out of date:
pip install tensorflow tensorflow-probability "gpflow>=2.6.0"
From sources#
See Contributing for details on installing from source.