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Python is the preferred scripting language of the CP2K project.


All python scripts should support self-testing. This means that the script can be invoked with --selftest as its sole argument.

Ideally, a script's self-test consists of an exhaustive suite of unit-tests. At the very least, it should not crash or break anything. Even an empty self-test will still reveal syntax and import errors, which are the most common Python 3 compatibility issues.

Once per night all Python executable are self-tested automatically.

Language Versions

All scripts should work with Python 2.7 or later. In particular the scripts should be future-proof and also work with Python 3.x . Additionally, a small set of essential scripts should work with Python 2.4 as well. Essential scripts are those required for building CP2K plus and

For more information on how to achieve Python 2+3 compatibility see:

dev/python.txt · Last modified: 2020/08/21 10:15 by