Automate release with bumpver (#169)

Co-authored-by: Kristjan Eimre <[email protected]>

README.md

@@ -4,6 +4,7 @@
 [![Documentation Status](https://readthedocs.org/projects/aiida-cp2k/badge/?version=latest)](https://aiida-cp2k.readthedocs.io/en/latest/?badge=latest)
 
 # AiiDA CP2K
+
 [AiiDA](http://www.aiida.net/) plugin for [CP2K](https://www.cp2k.org/).
 
 ## Installation
@@ -21,21 +22,37 @@ pip install -e .  # Also installs aiida, if missing (but not postgres/rabbitmq).
 ```
 
 ## Links
+
 * [Documentation](https://aiida-cp2k.readthedocs.io/en/latest/) for the calculation examples and features of the plugin.
 * [Make an issue](https://github.com/aiidateam/aiida-cp2k/issues/new) for bug reports, questions and suggestions.
 * [AiiDA](http://www.aiida.net/) to learn about AiiDA.
-* [Cp2k](https://www.cp2k.org/) to learn about CP2K.
+* [CP2K](https://www.cp2k.org/) to learn about CP2K.
+
+## For maintainers
+
+To create a new release, clone the repository, install development dependencies with `pip install '.[dev]'`, and then execute `bumpver update --major/--minor/--patch`.
+This will:
+
+  1. Create a tagged release with bumped version and push it to the repository.
+  2. Trigger a GitHub actions workflow that creates a GitHub release.
 
+Additional notes:
+
+  - Use the `--dry` option to preview the release change.
+  - The release tag (e.g. a/b/rc) is determined from the last release.
+    Use the `--tag` option to override the release tag.
 
 ## License
-MIT
 
+MIT
 
 ## Contact
+
 [email protected]
 
 
 ## Acknowledgements
+
 This work is supported by:
 * the [MARVEL National Centre for Competency in Research](http://nccr-marvel.ch) funded by the [Swiss National Science Foundation](http://www.snf.ch/en);
 * the [MaX European Centre of Excellence](http://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program, Grant No. 676598;

pyproject.toml

@@ -35,6 +35,7 @@ Homepage = "https://github.com/aiidateam/aiida-cp2k"
 
 [project.optional-dependencies]
 dev = [
+    "bumpver==2022.1119",
     "pgtest~=1.3",
     "pytest~=6.0",
     "pytest-cov~=2.11.1",
@@ -71,3 +72,16 @@ filterwarnings = [
     "ignore::DeprecationWarning:yaml:",
     "ignore::DeprecationWarning:pymatgen:",
 ]
+
+[tool.bumpver]
+current_version = "v1.5.0"
+version_pattern = "vMAJOR.MINOR.PATCH[PYTAGNUM]"
+commit_message = "Bump version {old_version} -> {new_version}."
+commit = true
+tag = true
+push = true
+
+[tool.bumpver.file_patterns]
+"aiida_cp2k/__init__.py" = [
+    '__version__ = "{pep440_version}"',
+]