This document aims to outline the steps needed to release the
should only be done with the approval of the core maintainers.
1. Update the Release History¶
If no PR has been submitted, create a new one to keep track of changes to the release notes only.
releasehistory.rst file may be edited in this PR.
Ensure that the release history file is up to date, and conforms to the below template:
# X.Y.Z This release ... A richer version of these release notes with live links to API documentation is available on [our ReadTheDocs page](https://property-estimator.readthedocs.io/en/latest/releasehistory.html) See our [installation instructions](https://property-estimator.readthedocs.io/en/latest/installation.html). Please report bugs, request features, or ask questions through our [issue tracker](https://github.com/openforcefield/propertyestimator/issues). **Please note that this is a pre-alpha release and there will still be major changes to the API prior to a stable 1.0.0 release.** ### Bugfixes * PR #1: Summary of PR #1 * PR #2: Summary of PR #2 ### Breaking Change * A list of those changes which break either the API, or the fundamental science performed by the framework. ### Migration Guide This release contained several major public API breaking changes. For the most part, these can be remedied by the follow steps: * `method_x` is now exposed as `method_y`
2: Cut the Release on GitHub¶
To cut a new release on GitHub:
Go to the
Releasestab on the front page of the repo and choose
Create a new release.
Set the release tag using the form:
Added a descriptive title using the form:
X.Y.Z [Descriptive Title]
This is a pre-releasecheckbox is ticked.
Copy the release notes from part one into the description box.
Note - You do not need to upload any files. The source code will automatically be added as a tar.gz.
3: Trigger a New Build on Omnia¶
To trigger the build in
1) Create branch or fork of omnia-md/conda-recipes with the following changes to propertyestimator in `meta.yaml<https://github.com/omnia-md/conda-recipes/blob/master/propertyestimator/meta.yaml>`_:
git_tagto match the git release tag
versionto match the release (this will go into the conda package name)
Update any dependencies in the
If we want to push to special
Open PR to merge branch or fork into omnia-md master:
The PR title should have the format
[propertyestimator] X.Y.Z (label: rc)
No PR body text is needed
Travis will run on this PR (~30 minutes) and attempt to build the package. Under no conditions will the package be uploaded before the PR is merged. This step is just to ensure that building doesn’t crash.
If the build is successful the PR should be reviewed and merged by the
Once merged into master the package is built again on travis, and pushed to the channel set in meta.yaml (
conda install -c omnia/label/rc propertyestimator
Note: Omnia builds take about 30 minutes to run. When you open a PR the build will run, and you can check the bottom of the travis logs for “package failed to build” listings. Some packages always fail (protons, assaytools), but propertyestimator shouldn’t be there. Ctrl-F for ``propertyestimator`` to ensure that it did build at all though.
4: Update the ReadTheDocs Build Versions¶
To ensure that the read the docs pages are updated:
Trigger a RTD build of
Versionstab add the new release version to the list of built versions and save.
Verify the new version docs have been built and pushed correctly
Advanced Settings: Set the new release version as Default version to display and save.