rosetta

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fix(DAlphaBall make): Avoid duplicate symbols linker error

2

Declare-only gmp globals in header file and define them in only one source file

rebelot

The code I am contributing here are updates to improve the functionality of the ligand motif code. This includes improvements to the following protocols: motifs/LigandDiscoverySearch - Created a method for...

toadlover

Test and fix for mp_f19_decoy_discrimination failure

1

The mp_f19_decoy_discrimination scientific test has a hard failure. It's crashing with the following issue in the minimization routine of relax. ``` core.scoring.hbonds.hbonds_geom: [ ERROR ] NAN occurred in H-bonding calculations!...

roccomoretti

If we're updating compilation to only use Python3 (#54), updating the integration tests to remove Python2 dependence also makes sense. It looks like we've mostly fixed any usage of Python2...

roccomoretti

fixing util file names

2

The argument passed to --class_name will be used as the prefix of util files.

NooraAz

removing __future__ statements

1

No more relevant in python3.

NooraAz