Installation
SLAP2 Utils can be installed with pip:
pip install SLAP2-UTILS
You can also clone this repository by typing the following on the command prompt (provided that you have GitHub installed):
git clone https://github.com/Peter-Hogg/SLAP2_Utils.git
All dependencies for SLAP2 Utils will be installed during installation with the exception of Cupy. Users must manually install Cupy for GPU accelerated functions to work.
Installing Cupy
GPU Supported functions use the Python Library Cupy. This library has the following requirements:
NVIDIA CUDA GPU with the Compute Capability 3.0 or larger.
CUDA Toolkit: v11.2 / v11.3 / v11.4 / v11.5 / v11.6 / v11.7 / v11.8 / v12.0 / v12.1 / v12.2 / v12.3 / v12.4
Try installing Cupy using a wheel that matches your CUDA Toolkit version ie: .. code-block:: shell
pip install cupy-cuda12x
For more information on installing Cupy see the installation documentation HERE.