Bug 1602822

Summary:	gromacs: use openblas instead of atlas
Product:	[Fedora] Fedora	Reporter:	Dominik 'Rathann' Mierzejewski <dominik>
Component:	gromacs	Assignee:	Christoph Junghans <junghans>
Status:	CLOSED CURRENTRELEASE	QA Contact:	Fedora Extras Quality Assurance <extras-qa>
Severity:	unspecified	Docs Contact:
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Version:	rawhide	CC:	dakingun, dominik, junghans
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Last Closed:	2018-07-20 21:07:50 UTC	Type:	Bug
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Bug Blocks:	1506952

Description Dominik 'Rathann' Mierzejewski 2018-07-18 15:02:38 UTC

Description of problem:
Please BuildRequire: openblas instead of atlas.

Version-Release number of selected component (if applicable):
gromacs-2018.1-1.fc29

Additional information:
A lot of benchmarks around the net suggest openblas is faster than ATLAS in most workloads:
https://github.com/tmolteno/necpp/issues/18
http://blog.nguyenvq.com/blog/2014/11/10/optimized-r-and-python-standard-blas-vs-atlas-vs-openblas-vs-mkl/
https://freddie.witherden.org/pages/blas-gemm-bench/
http://nghiaho.com/?p=1726

Many Fedora packages have switched to openblas already (e.g. scalapack and all dependent ones and numpy).

Comment 1 Christoph Junghans 2018-07-18 15:17:05 UTC

Sure, I can role that into the 2018.2 bump!

Comment 2 Christoph Junghans 2018-07-20 21:07:50 UTC

Fixed in 2018.2 bump (bug #1591052)