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README.md

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

Continuous Integration

You should test your code, but do not feel compelled to use these specific programs. You also may not need Unix and Windows testing if you only plan to deploy on specific platforms. These are just to help you get started

  • travis-ci: Linux and OSX based testing through Travis-CI
    • install.sh: Pip/Miniconda installation script for Travis
  • appveyor: Windows based testing through AppVeyor
    • install_conda.ps1 Powershell installation script of Conda components

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
  • 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

Conda build comments

  • conda-build build devtools/conda-recipe --user molssi -c conda-forge --no-force-upload

PyPI upload comments

Asumming your .pypirc file is setup correctly.

  • python setup.py sdist upload

Versioneer Auto-version

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 400 and has the regular expression of:

\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. QCEngine-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.