Contributing¶
How to contribute to this project.
Fork this repository¶
Fork this repository before contributing.
Clone your fork¶
Next, clone your fork to your local machine, keep it up to date with the upstream, and update the online fork with those updates.
git clone https://github.com/YOUR-USERNAME/IDPConformerGenerator.git
cd IDPConformerGenerator
git remote add upstream git://github.com/julie-forman-kay-lab/IDPConformerGenerator.git
git fetch upstream
git merge upstream/master
git pull origin master
Install for developers¶
Create a dedicated Python environment where to develop the project. If you are using Anaconda go for:
conda env create -f requirements.yml
Install the package in the repository:
python setup.py develop --no-deps
This configuration, together with the use of the src
folder layer, guarantee
that you will always run the code after installation. Also, thanks to the
develop
flag, any changes in the code will be automatically reflected in the
installed version.
Make a new branch¶
From the master
branch create a new branch where to develop the new code:
git checkout master
git checkout -b new_branch
Develop the feature and keep regular pushes to your fork with comprehensible commit messages.
git status
git add (the files you want)
git commit (add a nice commit message)
git push origin new_branch
While you are developing, you can execute tox
as needed to run your
unittests or inspect lint, etc. tox
usage is described in the last
section of this page.
Update CHANGELOG¶
Update the changelog file under docs/CHANGELOG.rst
with an explanatory
bullet list of your contribution. Add that list right after the main title and
before the last version subtitle:
Changelog
=========
* here goes my new additions explain them shortly and well
vX.X.X (1900-01-01)
-------------------
Also add your name to the authors list at docs/AUTHORS.rst
.
Pull Request¶
Once you are finished, you can Pull Request you additions to the main repository, and engage with the community. Please read the docs/PULLREQUEST.rst guidelines first, you will see them when you open a PR.
Before submitting a Pull Request, verify your development branch passes all tests as described bellow . If you are developing new code you should also implement new test cases.
Uniformed Tests with tox¶
Thanks to Tox we can have a unified testing platform where all developers are forced to follow the same rules and, above all, all tests occur in a controlled Python environment.
Before creating a Pull Request from your branch, certify that all the tests pass correctly by running:
tox
These are exactly the same tests that will be performed online in the Github Actions.
Also, you can run individual environments if you wish to test only specific functionalities, for example:
tox -e lint # code style
tox -e build # packaging
tox -e docs # only builds the documentation
tox -e tests # runs code unit tests for your python version
tox -e tests -- -vv # for full verbosity