Installation

The simplest way to install Trident Chemwidgets is via pip:

pip install trident-chemwidgets

or via conda:

conda install -c conda-forge trident-chemwidgets

JupyterLab activation

In most cases, the labextension should be autmatically installed and activated. You can check if the trident-chemwidgets package is available by executing:

jupyter labextension list

The output of this command should include a line that states (depending on installed version number):

        trident-chemwidgets v0.1.1 enabled OK (python, trident_chemwidgets)

Note that trident-chemwidgets is listed as enabled OK.

If the labextesnion is not installed automatically, you can install it manually with:

jupyter labextension install trident-chemwidgets

Notebook activation

If you installed via pip, and notebook version < 5.3, you will also have to install / configure the front-end extension as well. If you are using classic notebook (as opposed to Jupyterlab), run:

jupyter nbextension install [--sys-prefix / --user / --system] --py trident-chemwidgets

jupyter nbextension enable [--sys-prefix / --user / --system] --py trident-chemwidgets

with the appropriate flag.

Installation issues

If you run into any problems installing or using Chemwidgets, please raise an issue on GitHub. We’ll be happy to help or fix any bugs that arise.

Common bugs on Windows:

mkl-service

If you receive a UserWarning regarding mkl-service, the recommended solution is to install the package through their own repository found at this link http://github.com/IntelPython/mkl-service.

You can choose between two options, installation through pip:

python -m pip install mkl-service

Or through conda:

conda install -c conda-forge mkl-service

Or:

conda install -c intel mkl-service