Author Topic: How to install ASE in ATK 2008.10  (Read 10198 times)

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Offline Nordland

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How to install ASE in ATK 2008.10
« on: December 18, 2008, 00:28 »
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!