[Bug 1419379] Review Request: libefp - A full implementation of the Effective Fragment Potential (EFP) method

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https://bugzilla.redhat.com/show_bug.cgi?id=1419379



--- Comment #7 from Susi Lehtola <susi.lehtola@xxxxxx> ---
(In reply to Antonio Trande from comment #6)
> Package Review
> ==============
> 
> Legend:
> [x] = Pass, [!] = Fail, [-] = Not applicable, [?] = Not evaluated
> [ ] = Manual review needed
> 
> 
> Issues:
> =======
> - Header files in -devel subpackage, if present.
>   Note: libefp-debugsource :
>   /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/balance.h libefp-
>   debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/clapack.h
>   libefp-debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/efp.h
>   libefp-debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/elec.h
>   libefp-debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/int.h
>   libefp-debugsource :
>   /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/intshift.h libefp-
>   debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/log.h libefp-
>   debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/mathutil.h
>   libefp-debugsource :
>   /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/private.h libefp-
>   debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/stream.h
>   libefp-debugsource : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/swf.h
>   libefp-debugsource :
>   /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/terms.h libefp-debugsource
>   : /usr/src/debug/libefp-1.5.0-1.fc29.x86_64/src/util.h
>   See: http://fedoraproject.org/wiki/Packaging/Guidelines#DevelPackages

Not an issue, because those are in the *debug source tarball*. They are *not*
installed.

> - Use new ldconfig scriptlet

Done.

> - Why tests are not performed?
>   (You need to compile the EFPMD program:
> https://github.com/ilyak/libefp#efpmd)

CMakeLists.txt says:
# Notes on CMake: CMake builds libefp, the shared or static library,
#   but not efpmd because Psi4 doesn't use it. Also not implemented
#   is testing with CTest. Also, when libefp is
#   compiled statically with OpenMP, will need to compile consuming
#   application with OpenMP, too, or supply link library.

Per request, I have switched to using the Makefile.

> - You can activate OpenMP/MPI parallelization too.
>   Are you not interested about?

OpenMP activated. MPI is too much of a hassle for my needs.

> - BLAS library is not detected:
> 
> ...
> -- Found Threads: TRUE  
> -- A library with BLAS API not found. Please specify library location.
> -- LAPACK requires BLAS
> -- LAPACK detected.
> -- Found TargetLAPACK: Found LAPACK:  
> ...
> 
> - libefp.x86_64: W: undefined-non-weak-symbol /usr/lib64/libefp.so.1.5 ...
> 
> Probably, 'undefined-non-weak-symbol' are there for missing linkage to the
> BLAS library. 

I don't want to link to a BLAS library, because there are multiple possible
BLAS libraries that can be used on Fedora. It's better to leave the choice to
the linking packages. Otherwise it's a big mess to make sure you're actually
using the library you want. This is the same way e.g. the GSL library is
packaged: the BLAS library is chosen by the user at link time.

**

Spec URL: https://jussilehtola.fedorapeople.org/libefp.spec
SRPM URL: https://jussilehtola.fedorapeople.org/libefp-1.5.0-2.fc27.src.rpm

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