GitLab

* Top level Python module is now "openmm"

* Updated module names in examples

* Updated module names in documentation

* Updated module in CI scripts

* Added deprecation warning

* Add benchmarks from Amber20 benchmark suite to standard benchmark script

* Add ensemble option; don't change hydrogen mass in amber input files

* Download and extract .tar.gz using pure python code, no wget/tar dependencies

* Rename amber tests

* Added HMR to make ApoA1 benchmark more stable

* Removed debugging code

import of the new testInstallation module and a command to run the tests.

This way, we only have one place where we need to maintain this code, yet the
current workflow of "run testInstallation.py" still works.

the 3rd and 4th columns, making it an invalid Amber inpcrd file (which the new
parser cannot handle).

simulateCharmm.py to use the latest force fields. This is what CHARMM does for
their own tutorials, so this is fine.

to prevent users from actually using them.