[gmx-developers] in preparation for 4.5.5 and 4.6 releases

Rossen Apostolov rossen at kth.se
Wed Jun 22 13:10:12 CEST 2011


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.

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