Aiida-gromacs

What's Changed
* Jupyter based demo by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/88
* Added last step to tutorial and minor edits by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/89
* More minor edits by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/90
* Issue 91 - Implement multiple itpfiles by jimboid in https://github.com/jimboid/aiida-gromacs/pull/93
* Update CI action versions. by jimboid in https://github.com/jimboid/aiida-gromacs/pull/98
* Issue 95 add make ndx to calculations by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/100
* Fix tests in CI by jimboid in https://github.com/jimboid/aiida-gromacs/pull/99
* Add docker source for github actions container by jimboid in https://github.com/jimboid/aiida-gromacs/pull/102
* Update README.md by jimboid in https://github.com/jimboid/aiida-gromacs/pull/104
* Issue 101 add metadata parsers by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/103
* Removed Mac installation instructions by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/105
* Update publish-on-pypi.yml by jimboid in https://github.com/jimboid/aiida-gromacs/pull/106
* Change version number by jimboid in https://github.com/jimboid/aiida-gromacs/pull/107


**Full Changelog**: https://github.com/jimboid/aiida-gromacs/compare/v2.0.1...v2.0.2

What's Changed
* Fixed issue with readthedocs autobuild by jimboid in https://github.com/jimboid/aiida-gromacs/pull/79
* Moved functions used only in tests by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/82
* Changed genericMD entry point to gromacs.genericMD by jkalayan in https://github.com/jimboid/aiida-gromacs/pull/84
* Fix publish on pypi action by jimboid in https://github.com/jimboid/aiida-gromacs/pull/85 https://github.com/jimboid/aiida-gromacs/pull/86 https://github.com/jimboid/aiida-gromacs/pull/87


**Full Changelog**: https://github.com/jimboid/aiida-gromacs/compare/v2.0.0...v2.0.1

Initial release to test if the action script will auto create a pypi entry.