Installing¶

There are a few things you have to do to install QCGPU.

Prerequisites¶

OpenCL (Ensure that an OpenCL implementation is installed for your platform and that clinfo or some other diagnostic command will run).
Python (Version 2.7 or later).

This library is distributed on PyPI and can be installed using pip:

$ pip install qcgpu

If you run into any issues, you should try installing from source.

You can install QCGPU from the source. First, clone the repository off GitHub:

$ git clone https://github.com/qcgpu/qcgpu

Then you will need to cd into the directory, and install the requirements.

$ pip install -r requirements.txt

And finally you can install:

$ python setup.py install