The mltools-package represents a collection of tools for applications in the intersecting field of machine-learning and chemical systems.
If you want to contribute to mltools, we propose the same workflow as also suggested for ase. In general this means
- Never work on the master branch locally or on GitHub.
- Make a new branch for whatever you are doing. When you are done, push it to your own repository and make a merge request from that branch in your repository to the official master.
As it comes to commit messages, please follow numpy's guidelines which in particular require to start commit messages with an appropriate acronym:
API: an (incompatible) API change
BLD: change related to building numpy
BUG: bug fix
DEP: deprecate something, or remove a deprecated object
DEV: development tool or utility
DOC: documentation
ENH: enhancement
MAINT: maintenance commit (refactoring, typos, etc.)
REV: revert an earlier commit
STY: style fix (whitespace, PEP8)
TST: addition or modification of tests
Required for mltools are:
- ase >= 3.18.0b1
- nose >= 1.3.7
- numpy >= 1.16.1
- scipy >= 1.2.1
- pandas >= 0.23.1
- sklearn >= 0.19.1
Simon Wengert ([email protected])
BY-SA