choderalab / openmmtools

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.
http://openmmtools.readthedocs.io
MIT License
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Fix/enable caching of alchemical tests requiring simulation data for test_alchemy #171

Open jchodera opened 7 years ago

jchodera commented 7 years ago

It looks like the caching of simulation data by test_alchemy.py is both disabled and broken. We may want to fix this and re-enable it at some point.

andrrizzi commented 7 years ago

Weird! They were working fine (at least locally) the last time I tried. Is this still a problem after your PR #169 ?

jchodera commented 7 years ago

Yes, I just disabled them because I couldn't figure out how to get them to work.

andrrizzi commented 7 years ago

Ok! I'll take a look at it now.