[Feature request] GPU support for faster calculations

[Obs01ete]

I use pyscf to compute molecular Hamiltonians, and is takes around 25 seconds per molecule which is slow for me. Since pyscf uses libcint, I am wondering is there any way to replace blas/MKL backend of libcint with cuBLAS? Or any plans to add support for cuBLAS in the future? For me, leas then 1 second compute would be good. I have V100 at my disposal.

[sunqm]

libcint does not use any blas functions. You will not get any performance improvements by changing blas libraries. Integrals on GPU will only be available in the project https://github.com/pyscf/gpu4pyscf