On 2020-06-23 15:29, Dr. Thomas Orgis wrote:
Hi, we miss some parallelization in math/fftw and math/fftwf. I took the liberty to add options for OpenMP and MPI builds, see attached patch for that. Would somebody mind to test/apply? Seems simple enough to me … I prepared the patch with 2020Q1, but CVS doesn't look changed regarding those packages. Alrighty then, Thomas
Aside from simple improvements like this one, I think this is the next big project for pkgsrc in science once we get the BLAS implementations squared away.
We're going to need support for multiple MPI implementations, including all the supported versions of openmpi and mpich at least. I had a working system for installing MPI packages to ${PREFIX}/openmpi years ago, but haven't maintained it since then. The goal is to have ${PREFIX}/mpich, ${PREFIX}/openmpi3, ${PREFIX}/openmpi4, etc.
OpenMPI 1 and 2 are no longer supported, BTW, and our current package is 1.10.7. I would suggest upgrading and renaming it openmpi3 (with SUPERSEDES set).
We'll also need the ability to install dependent packages under the MPI prefix. Consider a large HPC cluster with hundreds of users each with their own software needs. Some applications may require mpich, others openmpi3, others openmpi4. Users of different MPI implementations are likely to all need certain MPI-enabled libraries, such as FFTW as well, so we'll need the ability to install multiple builds like fftw-openmpi4 and fftw-mpich side-by-side.
Leaf packages can have one MPI implementation hard-coded, it's just the MPI "middleware" that will require support for multiple implementations.
Cheers, JB