Simply installing pytest and running pytest in the main wepy directory will run meaningful tests that cover a large range of the practical wepy functionality.
Other changes:
deleting older tests
removing mdtraj from required packages
removing topology as a required argument for HDF5Reporters and WepyHDF5s (now it is only recommended)
updating geomm dependence (to include the minimum_distance function)
Because of the latter, this should not be merged until the geomm 0.2.1 version is up.
I'd recommend merging the commits I made before making more changes so the PR is smaller. There are 240 files changed currently so I can't see what changed easily.
Simply installing pytest and running
pytest
in the main wepy directory will run meaningful tests that cover a large range of the practical wepy functionality.Other changes:
HDF5Reporter
s andWepyHDF5
s (now it is only recommended)Because of the latter, this should not be merged until the geomm 0.2.1 version is up.