Files
dotfiles/.modules.kuba/gpaw/Tetralith/20.1.0.lua
2020-03-06 15:45:44 +01:00

27 lines
685 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("Python/3.6.7-env-nsc1-gcc-2018a-eb")
-- ld("Python/3.6.3-anaconda-5.0.1-nsc1")
ld("ASE/3.18.0-nsc1")
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"}}