@needs_openmm in all released versions not compatible with OpenMM 7.6 #1185
Description
$ conda list | grep openmm
openmm 7.6beta py38h3e3929c_0_khronos conda-forge/label/openmm_rc
$ python -c "import parmed as pmd; pmd.openmm.load_topology()"
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<string>", line 1, in <module>
File "/Users/mwt/miniconda3/envs/openff-dev/lib/python3.8/site-packages/parmed/utils/decorators.py", line 30, in new_fcn
raise ImportError('You must have at least OpenMM 6.3 installed')
ImportError: You must have at least OpenMM 6.3 installed
$ conda list | grep parmed
parmed 3.4.1 py38ha048514_0 conda-forge
The same happens with the most recent release and what seems to be bundled with AmberTools (3.4.0), although it's been fixed on master, perhaps inadvertently, since the offending line is from simtk.openmm.app.internal import unitcell, not import simtk.openmm as mm. This is separate from avoiding the deprecation warnings - as far as I can tell, anything using @needs_openmm will not work at all with any released versions of ParmEd and OpenMM 7.6
You mention your mega-PR #1138 is targeted at 4.0 and presumably this should fix that - Is there a plan for that to be released?