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Mark Abraham

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01/17/2020

10:29 AM GROMACS Task #3290: Require CMake >= 3.12
I note that ubuntu 18.04 has only 3.10, and that LTS version will still have appreciable life that overlaps with GROM...

01/16/2020

01:45 PM GROMACS Task #3047: Set required versions for GROMACS 2021
Discussed updating to clang 3.9 at https://gerrit.gromacs.org/c/gromacs/+/15237
11:55 AM GROMACS Revision 9ce8e5c8: Make nbnxm headers more self-contained
Resolves existing TODO, removing a dependency of the CPU kernels
on config.h
Eliminates an unnecessary function, and...

01/14/2020

04:00 PM GROMACS Task #3297: Require gcc > 5
IIRC we were a little pushy with the bumps to requirements for GROMACS 2020. That doesn't mean we can't make minor in...

01/09/2020

04:37 PM GROMACS Revision 97c8dcb6: Clean up ewald module internals
This prepares for future refactoring by starting to break up the
cross dependence on many internal headers.
Note tha...
02:08 PM GROMACS Feature #3242: Please do not remove the -nsteps flag
If we replace it by something that does all the same things, then I think we should not replace the name. And if we k...
01:57 PM GROMACS Feature #1347: future of tables
Christoph Junghans wrote:
> Due to this issue I will hold off bumping gromacs to v2020 in fedora (see https://bugzil...
11:43 AM GROMACS Bug #3282 (Closed): Copyright message is not compatible with the clang-format
11:15 AM GROMACS Bug #3282 (Resolved): Copyright message is not compatible with the clang-format
Applied in changeset commit:75443f0f3f822c3726763464f406ecc543ad700e.
09:32 AM GROMACS Revision 75443f0f: Split lines with many copyright years
The new split_copyright_years.sh script can be run every few years to
keep the line length short enough for readabili...

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