How to Package a New RMG Release

Release Numbering

RMG-Py and RMG-database releases can be different versions, and a new database release does not have to coincide with an RMG-Py release. Release numbering should be updated based on how much the code has shifted. We currently use a naming system like so

RMG-Py vX.Y.Z  

For the next major release (post parallelization), I recommend updating both RMG-Py and RMG-database to version number to 2.0.0.

Steps

1. Create new release notes in the documentation for the version: RMG-Py/documentation/source/users/rmg/releaseNotes.rst
2. Compile new pdf documentation from source for the release by going into documentation folder and using the command make latexpdf. Replace the previous documentation pdfs in the RMG-Py/documentation folder. Create a commit that states that pdf documentation for release X.Y.Z has been updated.
3. Update all version numbers.

• For RMG-Py: RMG-Py/rmgpy/version.py, RMG-Py/README.md
• For RMG-database: RMG-database/meta.yaml, RMG-database/setup.py

1. Create a new empty commit on the repository of the release titled i.e. RMG-Py vX.Y.Z release (see https://github.com/ReactionMechanismGenerator/RMG-Py/commit/643719b76c846031f64ddf3c74346af9591329d6)
2. Go to the [releases tab|https://github.com/ReactionMechanismGenerator/RMG-Py/releases] of the repository and click the 'Draft a new release' button. Tag the version with the string X.Y.Z and create the release title RMG-Py vX.Y.Z