On Wed, 2008-10-08 at 17:33 +0200, David van der Spoel wrote: > >>> Explanation: I am working on a package of Gromacs 4 that is going > to be > >>> included in Fedora. Is there still a need to have a separate package for > >>> Gromacs 3.3.x or is just Gromacs 4 enough? > >> Gromacs 4.0 can read all old files from gromacs 3.3. > > > > OK. So in your opinion having the latest version is enough? > Yes, I would be in favor of always installing the latest version as > "gromacs". One could consider also installing older versions. Another > nice thing might be to include both single and double precision versions.
Yes, that is my intention - the gromacs package is always the latest (stable) release available. The question was whether to package also an older release version. The packages contain everything in both single and double precision (e.g. mdrun & mdrun_d), and also mdrun in MPI-versions (mdrun_mpi and mdrun_mpid). When the gromacs makefile is modified to have a make parallel option to obtain also the couple of mpi-enabled analysis tools I will add them to the package. On Wed, 2008-10-08 at 17:36 +0200, Berk Hess wrote: > Hi, > > The latest version is not officially out though. > We expect the official release very soon. > > When do you need it? No hurry - I'm using rc3 for now. Once the final comes out it won't be a big thing to release new packages. The main question for now has been where to put the binaries, since there are so many of them and some of them have very general names that might clash with other packages. The solution is very likely environment modules. I'll send more info about the package when it's accepted. It will be available at least for RHEL 4, 5 and Fedora 9 and 10. -- ------------------------------------------------------ Jussi Lehtola, FM, Tohtorikoulutettava Fysiikan laitos, Helsingin Yliopisto [EMAIL PROTECTED], p. 191 50623 ------------------------------------------------------ Mr. Jussi Lehtola, M. Sc., Doctoral Student Department of Physics, University of Helsinki, Finland [EMAIL PROTECTED] ------------------------------------------------------ _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
