Update to real mdanalysis version in requirements & CI

ur-whitelab / hoomd-tf

A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

https://hoomd-tf.readthedocs.io

MIT License

30 stars 8 forks source link

Closed RainierBarrett closed 2 years ago

RainierBarrett commented 2 years ago

Accidentally pushed early on the last PR. This should address the 2.0 version of mdanalysis breaking everything.

whitead commented 2 years ago

@RainierBarrett think it's lower case: pip install mdanalysis < 2.0

whitead commented 2 years ago

@RainierBarrett Angle brackets are probably being eaten by bash. Try putting expr into quotes

IAlibay commented 2 years ago

This should address the 2.0 version of mdanalysis breaking everything.

Sorry to hear that, we'd be happy to help with any MDAnalysis upgrade issues.

whitead commented 2 years ago

Hi @IAlibay, thanks for checking in. We appreciate the great work done by MDAnalysis. Pardon @RainierBarrett's comment, we just got caught off guard.