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Bug #603

Add CMake support for external LAPACK libraries

Added by Jussi Lehtola almost 9 years ago. Updated over 8 years ago.

Status:
Closed
Priority:
Normal
Category:
build system
Target version:
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

Hi,

could you please add support for external LAPACK libraries in CMake, as was the case with autotools? Currently only the Apple and Intel proprietary libraries seem to be supported.

I'd think that support should be added for at least GotoBLAS and ATLAS, out of which the latter is more important due to its free license. I'd like to compile the Fedora packages against ATLAS.

History

#1 Updated by Szilárd Páll almost 9 years ago

(In reply to comment #0)

Hi,

could you please add support for external LAPACK libraries in CMake, as was the
case with autotools? Currently only the Apple and Intel proprietary libraries
seem to be supported.

I'd think that support should be added for at least GotoBLAS and ATLAS, out of
which the latter is more important due to its free license. I'd like to compile
the Fedora packages against ATLAS.

Hi,

Unfortunately it seems that this report want unnoticed and we're planning to release 4.5.2 in a matter of minutes/hours. Unless you or someone else can contribute with a patch in max 30min this will not make it into the release.

Otherwise, I can look into this after the release.

Cheers,
Szilard

#2 Updated by Erik Lindahl almost 9 years ago

Hi,

Intel & apple are a bit special since we use those accelerwtion libraries for FFTs; the BLAS support is just a bonus.

Normal simulations never use BLAS/LAPACK - it is only sparse matrix diagonalization for normal modes that benefit from it.

The big problem with BLAS is that there's no standard for the library names, so the only thing the option really does is to disable the corresponding built-in functions. Then the user will have to set the external libraries themselves, and I'm not sure how easy that is to do in cmake.

Anyway - i'm not sure the small gain is worth the effort and extra dependencies for you!

Cheers,

Erik

#3 Updated by Mark Abraham over 8 years ago

  • Assignee deleted (Erik Lindahl)

There's some CMake updates from Christoph that improve things on the detection front. 26d8c915b3c0 in master or 36aa859b in release-4-5-patches.

Do these meet your desires, Jussi?

#4 Updated by Jussi Lehtola over 8 years ago

Yes, looks like it should do the trick. I haven't tried it myself, though.

#5 Updated by Szilárd Páll over 8 years ago

  • Category changed from mdrun to build system
  • Status changed from New to Feedback wanted
  • Target version changed from 4.5.1 to 4.5.4

#6 Updated by Szilárd Páll over 8 years ago

  • Assignee set to Christoph Junghans
  • Target version changed from 4.5.4 to 4.5.5

#7 Updated by Christoph Junghans over 8 years ago

  • Status changed from Feedback wanted to Closed
  • % Done changed from 0 to 100

Done a long time ago, closing.

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