On Wed, Feb 3, 2021 at 11:07 PM Benson Muite <benson_muite@xxxxxxxxxxxxx> wrote: > > > On 2/4/21 6:54 AM, Christoph Junghans wrote: > > Hi, > > > > I was holding back on packaging gromacs 2020 as it missed some essential > > features, e.g. tabulated interactions, but now as gromacs 2021 is out > > and the features are still missing, I am wondering if it is still > > reasonable to hold back. The features are promised from gromacs 2022. > > > > As many users still need the legacy features, I was thinking to fork > > gromacs-2019 into a separate package, called "gromacs2019" or something, > > and bump the normal gromacs package to v2021. Or do you guys have a > > better idea? > > > > Cheers, > > > > Christoph > > > Maybe worth reaching out to GROMACS developers and perhaps also checking > packaging for Debian/Ubuntu. That being said, performance gains from > compiling GROMACS from source may be helpful. Would there then be 2 or 3 > GROMACS versions available for Fedora, 2021, 2020 and 2019? Would > Flatpaks/Appimages be better for typical usecases? I have been talking to the gromacs devs and follow a couple of open issues on their gitlab to be in the loop on the timeline for feature to be back. Debian moved to 2020 a while back, not sure if they were aware of the missing features. I think there is no point in keeping v2020 around if we package v2021, so two versions max I guess. Christoph > _______________________________________________ > scitech mailing list -- scitech@xxxxxxxxxxxxxxxxxxxxxxx > To unsubscribe send an email to scitech-leave@xxxxxxxxxxxxxxxxxxxxxxx > Fedora Code of Conduct: https://docs.fedoraproject.org/en-US/project/code-of-conduct/ > List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines > List Archives: https://lists.fedoraproject.org/archives/list/scitech@xxxxxxxxxxxxxxxxxxxxxxx -- Christoph Junghans Web: http://www.compphys.de _______________________________________________ scitech mailing list -- scitech@xxxxxxxxxxxxxxxxxxxxxxx To unsubscribe send an email to scitech-leave@xxxxxxxxxxxxxxxxxxxxxxx Fedora Code of Conduct: https://docs.fedoraproject.org/en-US/project/code-of-conduct/ List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines List Archives: https://lists.fedoraproject.org/archives/list/scitech@xxxxxxxxxxxxxxxxxxxxxxx
