Release Checklist

1. Check that the dashboard is green and there are no other blocking issues

2. Cut the release version

git checkout -b support/v20XX.Y

Edit the cp2k_version string in src/cp2k_info.F and CMakeLists.txt (⚠️ remove the Development Version).

tools/build_utils/get_revision_number src >REVISION
git add REVISION src/cp2k_info.F CMakeLists.txt
git commit -m "Cut release version 20XX.Y"

Example: https://github.com/cp2k/cp2k/commit/6608d10

3. Tag the release and push to GitHub

git tag -m "Cut release version 20XX.Y" -a v20XX.Y
git push upstream_rw support/v20XX.Y v20XX.Y

Github PR search: is:pr is:merged merged:>2025-07-22

4. Create tar ball and upload to new GitHub draft release

pip3 install git-archive-all
git-archive-all ./cp2k-20XX.Y.tar.bz2

ProTip: https://github.com/cp2k/cp2k/pulls?q=is%3Apr+is%3Amerged+closed%3A%3E2024-08-05

5. Create and upload binaries and Docker images

6. Create a new manual on "cp2k.org"

cd cp2k/tools/docker
docker build -f ./Dockerfile.test_manual  --build-arg GIT_COMMIT_SHA=$(git rev-parse HEAD) -t manual_img ../../
docker run -v "$(pwd)":/mnt manual_img cp -rv  /workspace/artifacts/manual /mnt/
tar -czf release_manual.tgz ./manual/
scp release_manual.tgz sham:
ssh sham tar -xzf release_manual.tgz
ssh sham mv manual /var/www/cp2k.org/manual/cp2k-20XX_Y-branch
ssh sham rm release_manual.tgz

7. Update the main branch

Change back to the main branch to add a new link to docs/versions.md and docs/index.md, and update the development version in src/cp2k_info.F and CMakeLists.txt. Example: https://github.com/cp2k/cp2k/commit/faa0fcc.

8. Update the CP2K web page

Add News entry
Update git tag on the Download page

9. Archive on Zenodo

Login in to https://zenodo.org to find out the new DOI that gets created automatically for every release.

https://docs.github.com/de/repositories/archiving-a-github-repository/referencing-and-citing-content

10. Dissemination

Inform the

CP2K developers by email
CP2K users via the CP2K mailing list (Example - ⚠️ check greeting!)
~~the Twitter-sphere via the Twitter account~~

about the new CP2K release.