Installation

The recommended way to install the ec-tools package is to use a separate python environment. There are several ways to setup an envirornment. Since we are using pixi to manage the environments we will limit the explanation mostly to this approach here. After installing pixi (see https://pixi.sh/latest) ec-tools can be used inside a environment initialized with:

pixi shell -e opt

The opt environment includes the numba and pythran packages to allow the speedup of computationally intensive operations, such as semi integration. However, ec-tools runs also without them when -e opt is omitted.

ec-tool can also be installed by pip:

pip install git+https://github.com/echemdb/ec-tools

This command downloads and installs ec-tools (from github) and its dependencies into your local Python installation.

If the above command fails because you do not have permission to modify your Python installation, you can install the ec-tools into your user account:

pip install --user git+https://github.com/echemdb/ec-tools

Install for development

If you want to work on the ec-tools itself, get a copy of the latest version of the ec-tools:

pixi shell -e dev

Any changes you make to the files in your local copy of the ec-tools should now be available in your next Python session.

Testing

pixi run doctest

Documentation

While working on the documentation it is sometimes convenient to have hot reload the documentation in the browser on change, which can be enabled by using sphinx-autobuild.

pixi run doc-watch

Open http://127.0.0.1:8000 in the browser

We would love to see your contribution to ec-tools.