graeter-group / kimmdy

Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

https://graeter-group.github.io/kimmdy/

GNU General Public License v3.0

8 stars 1 forks source link

Checklist for publishing #172

Open KRiedmiller opened 1 year ago

KRiedmiller commented 1 year ago

Things to change while making KIMMDY 2.0 public

[x] setup.cfg: [options.extras_require] should not point to git repo, but pip package instead
[x] tox.ini: deps should not contain -r requirements but extras = plugins
[x] documentation hosted at gh pages or hits servers
[ ] version number reset
[x] check installation precedure, incl subpackages, plugins, etc.
[x] yaml scheme online?
[x] Branch protection for main
[ ] citations

jmbuhr commented 1 year ago

I created a project to track the release at https://github.com/orgs/hits-mbm-dev/projects/3/views/1 adding the first public release milestone to an issue will automatically add it to the project, or you add things manually.