DeprecationWarning: invalid escape sequence '\s'

Becksteinlab / GromacsWrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

https://gromacswrapper.readthedocs.org

GNU General Public License v3.0

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Closed orbeckst closed 3 months ago

orbeckst commented 3 months ago

fix up all regular expressions where we use \s.

orbeckst commented 3 months ago

As part of looking at gmxfatal_pattern also fix how GromacsCommand reports failures: the regex hasn't really been work for any modern GROMACS.