Ansible Role: marvel-nccr.cp2k

An ansible role to install a recent version of CP2K on Ubuntu.

Installation

ansible-galaxy install marvel-nccr.cp2k

Role Variables

See defaults/main.yml

Example Playbook

- hosts: servers
  roles:
  - role: marvel-nccr.cp2k

Development and testing

This role uses Molecule and Docker for tests.

After installing Docker:

Clone the repository into a package named marvel-nccr.cp2k (the folder must be named the same as the Ansible Galaxy name)

git clone https://github.com/marvel-nccr/ansible-role-cp2k marvel-nccr.cp2k
cd marvel-nccr.cp2k

Then run:

pip install -r requirements.txt  # Installs molecule
molecule test  # runs tests

or use tox (see tox.ini):

pip install tox
tox

Code style

Code style is formatted and linted with pre-commit.

pip install pre-commit
pre-commit run -all

Deployment

Deployment to Ansible Galaxy is automated via GitHub Actions. Simply tag a release vX.Y.Z to initiate the CI and release workflow. Note, the release will only complete if the CI tests pass.

License

MIT

Contact

Please direct inquiries regarding Quantum Mobile and associated ansible roles to the AiiDA mailinglist.