# Development, testing, and deployment tools

This directory contains a collection of tools for running Continuous Integration (CI) tests, 
conda installation, and other development tools not directly related to the coding process.


## Manifest

### Conda Environment:

This directory contains the files to setup the Conda environment for testing purposes

* `conda-envs`: directory containing the YAML file(s) which fully describe Conda Environments, their dependencies, and those dependency provenance's
  * `test_env.yaml`: Simple test environment file with base dependencies. Channels are not specified here and therefore respect global Conda configuration


## How to contribute changes
- Clone the repository if you have write access to the main repo, fork the repository if you are a collaborator.
- Make a new branch with `git checkout -b {your branch name}`
- Make changes and test your code
- Ensure that the test environment dependencies (`conda-envs`) line up with the build and deploy dependencies (`conda-recipe/meta.yaml`)
- Push the branch to the repo (either the main or your fork) with `git push -u origin {your branch name}`
  * Note that `origin` is the default name assigned to the remote, yours may be different
- Make a PR on GitHub with your changes
- We'll review the changes and get your code into the repo after lively discussion!


## Checklist for updates
- [ ] Make sure there is an/are issue(s) opened for your specific update
- [ ] Create the PR, referencing the issue
- [ ] Debug the PR as needed until tests pass
- [ ] Tag the final, debugged version 
   *  `git tag -a X.Y.Z [latest pushed commit] && git push --follow-tags`
- [ ] Get the PR merged in

## Versioneer Auto-version
[Versioneer](https://github.com/warner/python-versioneer) will automatically infer what version 
is installed by looking at the `git` tags and how many commits ahead this version is. The format follows 
[PEP 440](https://www.python.org/dev/peps/pep-0440/) and has the regular expression of:
```regexp
\d+.\d+.\d+(?\+\d+-[a-z0-9]+)
```
If the version of this commit is the same as a `git` tag, the installed version is the same as the tag, 
e.g. `openmmforcefields-0.1.2`, otherwise it will be appended with `+X` where `X` is the number of commits 
ahead from the last tag, and then `-YYYYYY` where the `Y`'s are replaced with the `git` commit hash.