Install QCPortal

QCPortal can be installed using conda or pip.


The following command installs QCPortal and its dependencies using conda:

>>> conda install qcportal -c conda-forge

The QCPortal package is maintained on the conda-forge channel.


QCPortal can also be installed using pip:

>>> pip install qcportal

Testing the Installation

The installation process for QCPortal can be verified using pytest through running the tests. The pytest package can be installed using conda:

>>> conda install pytest -c conda-forge

or pip:

>>> pip install pytest

After installing pytest, the following command collects the tests and runs them individually in order to verify the installation:

>>> pytest --pyargs qcportal

Developing from Source

The QCPortal is a part of the QCFractal package and resides in the qcfractal.interface folder. Developers can make contributions to QCPortal by accessing the source code here.