[SciPy-Dev] [gpaw-users] wrapper for Scalapack

[Ralf Gommers]

On Thu, Oct 5, 2017 at 4:17 AM, marc <marc.barbry at mailoo.org> wrote:

> I guess this problem of dependency could be avoid with a custom
> installation.
> MPI code could be compile only if specify, in a similar fashion than the
> mkl library for Blas/Lapack wrappers.


There's a major difference there: MKL is optional, but BLAS/LAPACK is not.
We require a BLAS/LAPACK install, the implementations can be switched out.

For ScaLAPACK it seems pretty clear we can't require it to be installed.
Moreover, distributed computing is out of scope for SciPy. So developing
your ScaLAPACK wrappers (which do seem very useful indeed) as a separate
package looks like the better way to go.

Cheers,
Ralf


>
> On 10/04/2017 04:59 PM, Joshua Wilson via gpaw-users wrote:
>
>> Just off the cuff I'd guess that the BLACS dependency would make it
>> very difficult to support Scalapack in SciPy proper.
>>
>> On Wed, Oct 4, 2017 at 8:45 AM, marc <marc.barbry at mailoo.org> wrote:
>>
>>> Dear Scipy developers,
>>>
>>> We are actually writing a python wrapper for Scalapack that seems to be
>>> cruelly missing for computational science with Python.
>>> Since Scipy has already wrappers for Blas and Lapack library we are
>>> hoping
>>> that you could be interested as well in a Scalapack wrapper.
>>> In this aim, we used f2py to wrap the routine as it is done in the
>>> Blas/Lapack wrapper of Scipy.
>>>
>>> The actual code can be found in the following repository,
>>> https://gitlab.com/mbarbry/python-scalapack
>>>
>>> Since the project just started, only few routines are implemented, but we
>>> manage to write a working test with sygv routine.
>>> We would like to know if the Scipy community would be interested to merge
>>> this wrapper in the Scipy code in the future?
>>>
>>> We believe that Scalapack is an important part of the Scientific tools
>>> for
>>> linear algebra, and that Scipy would only benefit of such wrapper as well
>>> than the Scientific community.
>>> Contributions to the code are obviously more than welcome.
>>>
>>> Best regards,
>>> Marc Barbry
>>> _______________________________________________
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>>> SciPy-Dev at python.org
>>> https://mail.python.org/mailman/listinfo/scipy-dev
>>>
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>
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