Protocol for the creation of a CP2K release (branch) version

1. Agreement about a new release branch X.Y among the CP2K developers

2. Check if the following requirements for the release are fulfilled:

a) Clean status for all dashboard regression testers
b) Successful build and clean regtest of the gfortran sdbg, sopt, popt, pdbg, ssmp, and psmp versions
c) Check the generated executables with the H2O-32 benchmark input, e.g. using the script

cd cp2k/benchmarks/QS
./check-release-comparison.py

The final energies of all MD runs should agree by 10^-10.

3. Create a new branch from the current master using

git checkout -b support/vX.Y

4. Apply release specific changes

a) Update the version in src/cp2k_info.F (comment/uncomment release/branch line, update release number and year),
b) Update the version in tools/doxify/Doxyfile.template
c) Provide Java version of saxon for manual generation
d) Create a file cp2k/REVISION with the revision number of the release branch add it:

tools/build_utils/get_revision_number src >REVISION
git add REVISION
git commit -m "Store the revision number of the release branch" REVISION src/cp2k_info.F tools/doxify/Doxyfile.template

5. Compile the release branch version and run one or more regression tests

The reference outputs can be retrieved from the branched CP2K trunk version:

cp -a ../trunk/LAST-Linux-x86-64-gfortran-regtest-pdbg/ .
cp2k/tools/regtesting/do_regtest -c cp2k/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-regtest.pdbg.conf
cp -a ../trunk/LAST-Linux-x86-64-gfortran-regtest-ssmp/ .
cp2k/tools/regtesting/do_regtest -c cp2k/tools/regtesting/regtest_conf/Linux-x86-64-gfortran-regtest.ssmp.conf

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

a) Login to “sham.cp2k.org” (94.130.188.107)
b) Create a new folder /var/www/cp2k.org/manual/cp2k-X_Y-branch and logout
c) Add a new link in the cp2k/tools/manual/index.html file and commit that change
d) Create and upload the new manual:

cd cp2k/tools/manual
./update_manual Linux-x86-64-gfortran-regtest pdbg mkrack@sham.cp2k.org:/var/www/cp2k.org/manual/cp2k-X_Y-branch

7. Tag the release

git tag -a -m "CP2K release X.Y.O" vX.Y.0

8. Increment the version number of the development version (skip this for sub-releases)

git checkout master
vim cp2k/src/cp2k_info.F cp2k/tools/doxify/Doxyfile.template
git commit - "Increment CP2K development version number" cp2k/src/cp2k_info.F cp2k/tools/doxify/Doxyfile.template

9. Push all branches to Github

This needs direct push access to master and will start the Github Actions Workflow to create a Draft release for the tag and upload the complete source tarball there (including all submodules).

git push --atomic upstream support/vX.Y master vX.Y.0

After the workflow finishes, go to https://github.com/cp2k/cp2k/releases, add the release notes to the Draft release and publish the release.

10. Update the CP2K web page

Add News entry
Update Version History

11. Dissemination

Inform the

CP2K developers by email
CP2K users via the CP2K mailing list
the Twitter-sphere via the Twitter account

about the new CP2K release.

For a new sub-release X.Y repeat 3-7, correspondingly.

CP2K Open Source Molecular Dynamics

Sidebar

CP2K

For Users

For Developers

Protocol for the creation of a CP2K release (branch) version

1. Agreement about a new release branch X.Y among the CP2K developers

2. Check if the following requirements for the release are fulfilled:

3. Create a new branch from the current master using

4. Apply release specific changes

5. Compile the release branch version and run one or more regression tests

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

7. Tag the release

8. Increment the version number of the development version (skip this for sub-releases)

9. Push all branches to Github

10. Update the CP2K web page

11. Dissemination

CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Sidebar

CP2K

For Users

For Developers

Protocol for the creation of a CP2K release (branch) version

1. Agreement about a new release branch X.Y among the CP2K developers

2. Check if the following requirements for the release are fulfilled:

3. Create a new branch from the current master using

4. Apply release specific changes

5. Compile the release branch version and run one or more regression tests

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

7. Tag the release

8. Increment the version number of the development version (skip this for sub-releases)

9. Push all branches to Github

10. Update the CP2K web page

11. Dissemination

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