[gmx-users] in preparation for 4.5.5 and 4.6 releases
Rossen Apostolov
rossen at kth.se
Wed Jun 22 13:10:12 CEST 2011
Hi,
We are preparing for a new maintenance release 4.5.5. It will fix
critical open issues with previous releases, so please file your reports
in redmine.gromacs.org by the end of June.
After the 4.5.5 release, the stable branch will be frozen for bugfixes
only, and new functionality will be added to a new release-4-6-patches
branch, a fork of release-4-5-patches right after 4.5.5.
Currently the plan is to have in 4.6:
* faster native GPU implementation supporting most of current
Gromacs features
* collective I/O
* lambda dynamics and other free energy extensions
* AdResS (http://www.mpip-mainz.mpg.de/~poma/multiscale/adress.php)
* advanced rotational pulling
* file history
* several new tools
* autoconf removed - support for building only with CMake
Code from contributors will be considered for inclusion also but it's
necessary that
* comes with support for the code in future releases, e.g. port it
to the completely new C++ structure in the 5.0 release and
maintain it after
* builds against 4.5.5
* produces scientifically reliable results
* works in parallel and doesn't affect the performance
* comes with regression test sets for the new features
* has the necessary documentation for usage
After 4.5.5 bug fixes need to be applied as:
* bugs in 4.5.5:
o fix in 4.5.5 -> fix in 4.6 -> fix in master
* bugs in the new features introduced in 4.6:
o fix in 4.6 -> fix in master
The plan is to have 4.5.5 around end of July, and 4.6-gamma a month later.
Rossen
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