jszopi / repESP

Reproducing molecular ESP from partial charges and more
GNU General Public License v3.0
6 stars 7 forks source link

v0.2 release #22

Closed jszopi closed 5 years ago

jszopi commented 5 years ago

v0.1 was tagged and what follows on the master branch is the work towards version 0.2 with a well-defined API. A limited set of features is currently implemented but docstrings are still missing. Once docstrings are filled in, version 0.2.0 will be complete and this issue closed. Missing features planned for future patch releases are documented and tracked in #21.

Note that users will have to upgrade to Python 3.7 due to heavy reliance on dataclasses.

jszopi commented 5 years ago

This version is released: https://github.com/jszopi/repESP/releases/tag/v0.2 . Note that patch versions may break API as this is the first version to get any users.