Richard Berger
Richard Berger
I have someone with pair reaxff wanting to access the neighbor list via the Python interface / library interface. This works as long as they're on the host. Once you...
Yes. Although the group that wants to use it has in the meantime implemented their own neighbor lists in Python.
I agree having it centralized has its benefits, I'll take a closer look. Since I'd like to get rid of using hipcc altogether, CachedCMakePackage might need some modifications and might...
@bernhardkaindl as mentioned by @dalg24 , disabling `serial` without alternative makes no sense. I've now added a conflict that requires at least one active backend. As for adopting `CachedCMakePackage`, that...
@akohlmey this one might still take a bit, will need to recreate the windows environment somehow. in the meantime, you should probably cherry-pick 8119d8a7e7a9e69410c16e3f8099674f20857279
Yes, let's figure out a time via Slack.
@akohlmey I don't have a windows system a the moment, could you check out why the path becomes `\\D:\\a\\lammps\\lammps\\build\\helloplugin.so` ?
The issue is that these configurations use a package that is not part of the standard Lua installation. The workaround is to also install/load `lua-luaposix` in Spack.
@hjjvandam for this to work the CMake install of pace would have to place the necessary files into its install prefix and the LAMMPS ML-PACE Cmake needs to be able...
I'm "rberger" (one b) in both Spack and LAMMPS slack spaces. Just send me a direct message.