First make sure that you have a working OpenCL installation
OpenCL is usually shipped with GPU driver (Nvidia/AMD)
Install the ocl_icd and the OpenCL-Headers
apt-get install ocl_icd* opencl-headers
Possible restart of system after installing new drivers and check if OpenCL is working
Install clFFT library:
Either use the package repository,e.g.:
apt-get install libclfft*
Or download a prebuild binary of clfft
Install gpyfft by following the instruction on the GitHub page.
To Install PyQMRI, a simple
pip install pyqmri
should be sufficient to install the latest release.
Alternatively, clone the git repository and navigate to the root directory of PyQMRI. Typing
pip install .
should take care of the other dependencies using PyPI and install the package.
In case OCL > 1.2 is present, e.g. by some CPU driver, and NVidia GPUs needs to be used the flag PRETENED_OCL 1.2 has to be passed to PyOpenCL during the build process. This can be done by:
./configure.py --cl-pretend-version=1.2 rm -Rf build python setup.py install