Installing

You will need python 3.10 or later.

On a Diamond Light Source internal computer, you can achieve Python 3.10 by:

$ module load python/3.10

You can check your version of python by typing into a terminal:

$ python3 --version

It is recommended that you install into a virtual environment so this installation will not interfere with any existing Python software:

$ python3 -m venv /scratch/$USER/myvenv
$ source /scratch/$USER/myvenv/bin/activate
$ pip install --upgrade pip

You can now use pip to install the package and its dependencies:

$ python3 -m pip install echolocator

If you require a feature that is not currently released, you can also install from git:

$ python3 -m pip install git+https://gitlab.diamond.ac.uk/xchem/echolocator.git

The package should now be installed and the command line should be available. You can check the version that has been installed by typing:

$ echolocator --version
$ echolocator --version-json