[gpaw-users] MPI-Scalapack library for Python

[marc]

Hi Jussi,

Thanks for your comments. cython seems effectively a good choice, and it 
is the one that have done the developers of scalapy. Unfortunately my 
knowledge of cython is too low to be efficient. I decided to use f2py 
finally for the implementation of the wrappers. There is two reasons for 
this choice,
     _ first since all this library are natively written in fortran, it 
is then easier to wrap them using a fortran interface
     _ Second it is the choice that have done scipy developers for them 
blas/lapack wrapper, therefore, it is probably a good idea to follow 
them decision, particularly if we wish one day to merge this wrapper 
into scipy. Also them source code can be use as template for Scalapack 
wrapper.

Comments on this are welcome.

Best regards,
marc

On 09/28/2017 12:02 PM, Jussi Enkovaara via gpaw-users wrote:
> For developing a new Python interface library I would nowadays 
> probably go with cython. There used to be some issues with big 
> supercomputers and cross-compilation (that's for example reason that 
> GPAW used to have its own hdf5 interface), but my recent experiences 
> have been quite positive.