[gmx-users] New beta release: 4.5-beta3

[Jussi Lehtola]

On Tue, 10 Aug 2010 21:24:50 +0200
Rossen Apostolov <rossen.apostolov at cbr.su.se> wrote:

> 
> New beta release of gromacs is available for testing: 
> ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.5-beta3.tar.gz.
> 
> Many bugs have been fixed in this release, mainly double precision 
> support with icc compilers, SSE2. Have a look at the release note on
> the website for more details. There are still some issues on Windows 
> platofrms that will be resolved before the final release.
> 
> Please try it out and see if it works as expected! Hopefully there
> won't be many more betas :))

I can't compile using CMake - I get undefined references to GSL
functions when compiling do_dssp. -lgsl seems to be missing from the
linker line.

Another issue is that the CMake build scripts do not seem to honor
CFLAGS. The string "-fomit-frame-pointer -finline-functions
-funroll-all-loops  -O3 -DNDEBUG" is added to the end of the flags,
which causes a problem since the optimization settings are overruled.

Plus, I think there should be some kind of minimal readme for usage
with CMake.
-- 
------------------------------------------------------
Jussi Lehtola, FM, Tohtorikoulutettava
Fysiikan laitos, Helsingin Yliopisto
jussi.lehtola at helsinki.fi, p. 191 50632
------------------------------------------------------
Mr. Jussi Lehtola, M. Sc., Doctoral Student
Department of Physics, University of Helsinki, Finland
jussi.lehtola at helsinki.fi
------------------------------------------------------