Bugfix release: FIx openMM namcespace changes

See PR #304

Bugfix release: Enable compatibility with ambertools 20

This bugfix release enables compatibility with AmberTools 20 deployed on conda-forge, which includes a development version of ParmEd that erroneously reports its version is 0.0.0.

See conda-forge/ambertools-feedstock#35 and #274

Fix GAFF bugs and silence bondtype warnings

This release fixes GAFF bugs and silences bondtype warnings.

We also switch to use GitHub Actions for testing.

default charging, bondtypes and mdtraj compatibility

This release:

• update as mdtraj.topology.from_dataframe now returns four values
• using OEAM1BCCELF10Charges as default, with OEAM1BCCCharges fallback
• using bondtype instead of antechamber to avoid antechamber valency complaints

v0.8.4

This release:

• updates forcefield_generator.py to be consistent with openmm 7.4.0, while maintaining backwards compatibility with previous openmm versions
• depreciates python 2.7 support
• bugfixes for osx

Unpin Libgfortran - Last Python 2.7

This release unpins libgfortran and updates packmol.

This is also the last release which will support Python 2.7 as the OpenEye Toolkits no longer are released for them.

0.8.2 - Normalize Molecule Bugfix

Bugfix for Normalize Molecule so OEIUPAC is now optional

Also cleans up some testing and build issues from not having a release for months.

v0.8.1

This release:

• Gaff2 template generator (#260)
• Add a 2A buffer during packing as suggested by packmol's docs for periodic boundary conditions (#261)

v0.8.0

This release:

• Removes acpype, which had been deprecated
• Changes license to MIT
• Implements new charging routine from OpenEye while maintaining legacy charging as an option
• Makes minor maintenance changes to Epik
• Allows standardization of water names (such as to allow proper water recognition via MDTraj)

v0.7.5: Feature extension and minor bugfixes

This release:

• Adds support for GAFF2 in amber utilities relating to antechamber
• Fixes some unit handling and debug information in system checking utilities
• Adjusts standardization of files written in openeye and forcefield_generators modules

This is a minor maintenance release