This adds a series of high-performance DFT-related libraries with GPU support. Especially GauXC requires tons of patching to avoid on-the-fly downloads, broken HIP builds, incorrect configure files and tests that crash each other when running concurrently.
This adds a series of high-performance DFT-related libraries with GPU support. Especially GauXC requires tons of patching to avoid on-the-fly downloads, broken HIP builds, incorrect configure files and tests that crash each other when running concurrently.