Files
dotfiles/.modules.kuba/gpaw/Vera/20.1.0.lua
Jakub Fojt 740729834a Add vera modules
Add slurm aliases
2020-03-13 16:34:26 +01:00

25 lines
611 B
Lua

whatis([==[My compiled version of GPAW]==])
unload("GPAW")
function ld (m)
if not ( isloaded(m) ) then
load(m)
end
end
ld("clusterappl")
local nobackup = os.getenv("MYNOBACKUP")
local root = pathJoin(nobackup, "git/gpaw/20.1.0")
ld("ase/dev")
ld("libxc/4.3.4")
ld("gpaw-setups/0.9.20000")
setenv("OMP_NUM_THREADS", 1)
prepend_path("PATH", pathJoin(root, "tools"))
prepend_path("PYTHONPATH", root)
prepend_path("PYTHONPATH", pathJoin(root, "build/lib.linux-x86_64-3.7"))
execute {cmd='complete -o default -C "/usr/bin/python3 ' .. root .. '/gpaw/cli/complete.py" gpaw', modeA={"load"}}