Install QCElemental

You can install qcelemental with conda or with pip.


You can install qcelemental using conda:

>>> conda install qcelemental -c conda-forge

This installs QCElemental and its dependencies. The qcelemental package is maintained on the conda-forge channel.


You can also install QCElemental using pip:

>>> pip install qcelemental

Test the Installation

You can test to make sure that QCElemental is installed correctly by first installing pytest.

From conda:

>>> conda install pytest -c conda-forge

From pip:

>>> pip install pytest

Then, run the following command:

>>> pytest --pyargs qcelemental

Developing from Source

If you are a developer and want to make contributions to QCElemental, you can access the source code from github.