Installation

Note

We highly recommend installing jaxrts in a (virtual) environment, separate from a system-wide python installation.

The easiest way to include this project into your workflow is to pip install the newest .whl file, that can be found on the release page.

To install the current development version clone the git repository under https://github.com/jaxrts/jaxrts:

git clone https://github.com/jaxrts/jaxrts.git
cd jaxrts

Create a new python environment and activate it. Then, install the project

python -m pip install .

Or, just run

python -m pip git+https://github.com/jaxrts/jaxrts

Installing additional features

Some optional features of jaxrts require specific, additional packages to be installed on top of the the standard requirements. Currently these are the tools to:

• use the Neural networkinterpolation for static structure factors (NN),

• and packages required to use some (experimental) graphical interfaces (gui)

To install them, just add the required keys in square brackets, e.g.

python -m pip install ".[NN]"