choderalab / yank

An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
http://getyank.org
MIT License
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Integration tests using ipython notebooks #178

Open jhprinz opened 9 years ago

jhprinz commented 9 years ago

Hi,

I have added a python module that can run ipython notebooks in travis and make some rather nice output. The code is found here: https://github.com/jhprinz/msm-tis/blob/ipythontesting/examples/ipython/ipnbdoctest.py The main features are:

We can also put code folds into .travis.yml scripts simply using

echo travis_fold:start:{name}
...
echo travis_fold:end:{name}

although name MUST be unique in the whole output!

The code is based on some gist (see the code) and I tried to quickly patch something, so the code needs some cleanup, but you might get the idea. If there is interest in this I will make this more useable with seom commandline options to be used in travis.

Lnaden commented 8 years ago

Having more helpful travis output would be good. Probably won't get into 1.0. Moving to future release