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vscentrum / vsc-software-stack

Central repository of easyconfigs used in the software installations on VSC clusters.
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LAMMPS 27JUN2024 #373

Closed laraPPr closed 3 months ago

laraPPr commented 3 months ago
laraPPr commented 3 months ago

There is no stable release yet with the feature. I'll see how far I'll get with installing the feature release.

MaximeVdB commented 3 months ago

Hi Lara -- I actually happen to have dealt with an identical request last week. But I then didn't think of contributing it since it's not a stable release and that request got modified afterwards. I will push to a branch for you to have a look at it.

laraPPr commented 3 months ago

Thanks am very familliar with LAMMPS as well so I am testing a build as well to see if it passes

laraPPr commented 3 months ago

Ah it might be the same person because it is a KU Leuven account

MaximeVdB commented 3 months ago

On our side, I ultimately installed it with foss-2023a instead, which is easily done starting from the existing LAMMPS-2Aug2023_update2-foss-2023a-kokkos.eb and with a small (ad-hoc) modification of the lammps easyblock.

laraPPr commented 3 months ago

ah also ran into that one. I was looking for it and to see what I had done wrong because I made that patch and changed that part of the easyblock. gonna see if I can make that part more generic.

laraPPr commented 3 months ago

installed and informed user