[cctbxbb] Install OpenBLAS or MKL in base

Graeme.Winter@Diamond.ac.uk Graeme.Winter at diamond.ac.uk
Fri Jun 22 05:52:23 PDT 2018


"
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tricky for our BSD-licensed DIALS / cctbx / etc. & blocker for Phenix (I guess?)

On 22 Jun 2018, at 13:49, Graeme.Winter at Diamond.ac.uk<mailto:Graeme.Winter at Diamond.ac.uk> <Graeme.Winter at diamond.ac.uk<mailto:Graeme.Winter at diamond.ac.uk>> wrote:

GSL is a licensing nightmare? Hardcore GNU license?

On 22 Jun 2018, at 13:48, Pascal <pascal22p at parois.net<mailto:pascal22p at parois.net>> wrote:

Is not cblas written in C or it is just an interface to the F77 version?

Otherwise the gsl (gnu scientific library) could be used?

Pascal

On 22/06/18 13:23, Luc Bourhis wrote:
Once fable would have been run on it, the FORTRAN would be gone: just commit the C++ and forget the origin of it. But this is terribly unrealistic: this is a vast amount of code to translate and trusting blindly fable would be silly whereas testing it all would be far too much work.

Thus I think the only route for getting the new BLAS 3 smtbx part of nightly tests would be to make the installation of the optimised BLAS not optional.

On 22 Jun 2018, at 14:07, Graeme.Winter at Diamond.ac.uk<mailto:Graeme.Winter at Diamond.ac.uk> <Graeme.Winter at diamond.ac.uk<mailto:Graeme.Winter at diamond.ac.uk>> wrote:

Howdy y’all,

If we could avoid adding more FORTRAN source code dependencies to this I (as a fruity computer user) would be delighted :-)

Cheerio Graeme


On 22 Jun 2018, at 13:01, Luc Bourhis <luc_j_bourhis at mac.com<mailto:luc_j_bourhis at mac.com><mailto:luc_j_bourhis at mac.com>> wrote:

Hi,

On 22 Jun 2018, at 13:27, Pascal <pascal22p at parois.net<mailto:pascal22p at parois.net><mailto:pascal22p at parois.net>> wrote:

A third option would be to keep third party blas/lapack libraries optional but include the version from netlib has a fall back in cctbx. No need to duplicate implementation. If you just include the functions used in cctbx from netlib it is also lightweight. Tests should be fine against netlib only. Third party libraries are checked on their own.

I like the idea. It is very important the new smtbx code relying on BLAS 3 is part of nightly tests but Pascal is right here. The only problem is that netlib reference BLAS is written in FORTRAN. So is LAPACK. Both have C interfaces but the actual implementation is in FORTRAN. We could of course run fable on it. In case you do not know Pascal, fable is a tool written by Ralf to convert Fortran to C++.

Best wishes,

Luc

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