Getting LSMS
The code can be obtained from the github repo (https://github.com/mstsuite/lsms)
git clone https://github.com/mstsuite/lsms.git
LSMS has the following dependencies
Fortran and C++
Cmake
HDF5
BLAS and LAPACK
MPI
(Optional) CUDA/ROCm for GPU acceleration
Lua and LibXC are included - if you would like to use a pre-existing lua or LibXC installation it can be linked during the build process