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?
_______________________________________________
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
