For those experts, that want to use ASE inside ATK 2008.10, I have written a small guide for installation of ASE into ATK 2008.10.
It is very straight forward, it requires 3 shell commands and you need to insert a small piece of code into the setup.py of ASE.
Use at own risk - but it should be risk-free.
0) Download and unpack ASE from
(Atomic Simulatoin Environment)1) Execute in a shell "
mkdir -p PATH_TO_YOUR_ATK/lib/python2.4/config"
2) Execute in a shell "
touch PATH_TO_YOUR_ATK/lib/python2.4/config/Makefile"
3) Enter the unpacked ASE directory and edit the file setup.py - Go to line 11 where it writes "
import sys".
Insert the following line "
sys.argv = sys.argv[1:]" on line 12. Save and exit.
4) Now install just like your would normally "
ATH_TO_YOUR_ATK/bin/atk setup.py install"
And now you can start up ATK and write
from ase import * and you are ready to use ASE from within ATK.
Note:
Other similar python packages can be installed in the exact same way!
