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- ============
- Installation
- ============
- Prerequisites
- To use QCGPU you will need to be using `Python 2.7 or later <https://www.python.org/downloads/>`_.
- You will also need to ensure that you have an `OpenCL <https://www.khronos.org/opencl/>`_ implementation installed.
- This is done by default on MacOS, but you shuld check that ``clinfo`` or some other diagnostic command will run.
- You can also use `Anaconda 3 <https://www.continuum.io/downloads>`_, which will have many of the required dependencies already installed.
- Installing from PyPI
- This library is distributed on `PyPI <https://pypi.python.org/pypi/qcgpu>`_ and can be installed using pip:
- .. code:: sh
- $ pip install qcgpu
- If you run into any issues, you should try installing from source.
- Installing from Source
- You can install QCGPU from the source. First, clone the repository off
- GitHub:
- .. code:: sh
- $ git clone https://github.com/qcgpu/qcgpu
- Then you will need to ``cd`` into the directory, and install the
- requirements.
- .. code:: sh
- $ pip install -r requirements.txt
- And finally you can install:
- .. code:: sh
- $ python setup.py install
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