Ansible Role: marvel-nccr.abinit

An Ansible role that installs abinit on Ubuntu.

Installation

ansible-galaxy install marvel-nccr.abinit

Role Variables

See defaults/main.yml

Example Playbook

- hosts: servers
  roles:
  - role: marvel-nccr.abinit
    vars:
      abinit_version: "9.2.1"

On some platforms (such as VirtualBox), the apt installed libxc-dev leads to test failures. If this is the case, you may want to use a specifically compiled version, e.g. using the marvel-nccr.libxc role:

- hosts: servers
  vars:
    libxc_version: "4.3.4"
    libxc_prefix: "/usr/local/libxc-{{ libxc_version }}"
  roles:
  - role: marvel-nccr.libxc
  - role: marvel-nccr.abinit
    vars:
      abinit_version: "9.2.1"
      abinit_libxc_path: "{{ libxc_prefix }}"

Development and testing

This role uses Molecule and Docker for tests.

After installing Docker:

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

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

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.