openpathsampling-cli 0.3.0

This is a long overdue release for the OPS CLI. This brings in some major user-friendly experiences (the compile command, as well as one that isn't official, but you wizard-types out there should be able to figure it out).

This also includes important updates for modern versions of OpenMM and OpenPathSampling.

API Break: The plugin infrastructure for the OPS CLI has changed. See #48 for details.

Enhancements

• Fill in information for compile docs (#67)
• Automatic build of docs for compile command (#64)
• Wizard pauses (#62)
• Wizard improvements: more help; improvements loading from OPS files (#58)
• Preserve plugin load order with OrderedSet (#60)
• Wizard: !quit command should give option to save (#63)
• Wizard rewrite (#54)
• compile command: Simulation setup with YAML or JSON (#43)
• Simulation Setup Wizard (#41)
• New plugin infrastructure (#48 #API break)

Bugs fixed

• Fix error in output for contents (#73)
• Wizard: Fix uncaught exception if user input is empty (#65)

Miscellaneous improvements

• Silence annoying pymbar warnings (#77)
• SPEC0/NEP29: Add Python 3.12, drop Python 3.9 (#78 #ci)
• Add help to compile; make it visible in CLI help (#76)
• Update badge; copyright in LICENSE (#75)
• Fix CI problems (#74 #ci)
• update copyright to 2022 (#70)
• Stop excluding tests from coverage (#69)
• pylint/flake8: paths_cli.wizard (#66)
• pylint/flake8: paths_cli.compiling (#59)
• Remove plugins/ directory (#61)
• Fix CodeCov action (#56 #ci)
• Drop Python 3.6 support (#55)
• switch codecov bash uploader for their github action (#53 #ci)
• Remove nc from descriptions of OPS files (#51)
• Updates for OpenMM 7.6 (#50 #upstream changed)
• fix typo in error message (#49)
• Fix tests for moved CVs in OPS 1.5 (#46 #upstream changed)