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
169 stars 53 forks source link

Python 3 failure on tempfile: TypeError #198

Closed orbeckst closed 3 years ago

orbeckst commented 3 years ago

https://github.com/Becksteinlab/GromacsWrapper/blob/017b10a8016532ea39f734759ebc816f9484a3aa/gromacs/cbook.py#L747-L748 fails under Python 3 with a TypeError.

orbeckst commented 3 years ago

Possibly similar to 082000093a5ae4c5599add103f3cb6e5279a053d

utf-8 fixes in cbook and qsub

- consistently open in binary, decode to utf-8, write to binary (encoded utf-8), following
  Ned Batchelders unicode sandwich https://nedbatchelder.com/text/unipain.html
- basic coverage for qsub module (but no unicode tests)