Install QCPortal

You can install qcportal with conda or with pip.

Conda

You can install qcportal using conda:

>>> conda install qcportal -c conda-forge

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

Pip

you can also install QCPortal using pip:

>>> pip install qcportal

Test the Installation

You can test to make sure that QCPortal 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 qcportal

Developing from Source

The QCPortal package is part of the QCFractal package and is the qcfractal.interface folder. If you are a developer and want to make contributions Portal, you can access the source code from github and the aforementioned folder.