Writen by Chunxiao Xu, PhD

Install Visual Studio, 2017 or above versions. Visual Studio - 2019、2017、2015

Install CUDA，both version 11 and 12 are ok.CUDA Toolkit Archive | NVIDIA Developer

Install Qt 6.Try Qt | Develop Applications and Embedded Systems | Qt

Install Python development environment (Anaconda management is recommended).Download Anaconda Distribution | Anaconda

How to build Crystal with Python support

Choose Python bindings and fill the path of the python interpreter. You would better fill the path when you choose Python bindings (before configuration), or the compiler may generate the wrong version of PYD file.

Then configure it and select the newly emerged two option:

Compile the pycrystal_core project:

And you can found [pycrystal_core.cp39-win_amd64.pyd].

Put it in: Crystal/Scripts/pycrystal/pystal/win or linux (depending on your compiling operating system)