This repository provides Spack packages for NESO and some of its dependencies. To enable your installation of Spack to use this repo do:
git clone git@github.com:ExCALIBUR-NEPTUNE/NESO-spack.git
cd NESO-spack
spack repo add .
You can then use spack install to build various packages. For
example, you can build Nektar++ using GCC and OpenBLAS by running
spack install neso.nektar%gcc ^openblas
If instead you want to build it using the Intel oneAPI compilers and Intel MKL, you can run
spack install neso.nektar%oneapi ^intel-oneapi-mkl
These installations can coexist side-by-side.
Note that the oneAPI compilers (and Clang, on which they are based) struggle to compile some dependencies like NumPy and Boost. You may need to specify those to be built using another compiler, such as the classic Intel compilers:
spack install neso.nektar%oneapi ^intel-oneapi-mkl ^py-numpy%intel ^boost%intel
For more information on using this Spack repo to develop NESO, see the README for that repository.
This repository can be used to install NESO-Particles. For example
# With OneAPI/IntelMPI
spack install neso.neso-particles %oneapi
# With HipSYCL/Mpich
spack install neso.neso-particles ^neso.hipsycl ^mpich