👌 IMPROVE: Update to Github Actions (#5)

.ansible-lint

@@ -0,0 +1,3 @@
+# use `# noqa xxx` at the end of a line, to ignore a particular error
+# or add to the warn_list, to ignore for the whole project
+warn_list: ['208']

.github/workflows/ci.yml

@@ -0,0 +1,72 @@
+name: CI
+
+on:
+  push:
+    branches: [master]
+    tags:
+    - 'v*'
+  pull_request:
+
+env:
+  galaxy-name: "marvel-nccr.cp2k"
+
+jobs:
+
+  pre-commit:
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v2
+    - name: Set up Python
+      uses: actions/setup-python@v1
+      with:
+        python-version: 3.8
+    - uses: pre-commit/[email protected]
+
+  molecule:
+
+    strategy:
+      matrix:
+        distro: [ubuntu1604, ubuntu1804, ubuntu2004]
+      fail-fast: false
+
+    runs-on: ubuntu-latest
+
+    steps:
+
+    - uses: actions/checkout@v2
+      with:
+        path: ${{ env.galaxy-name }}
+
+    - name: Set up Python 3.8
+      uses: actions/setup-python@v2
+      with:
+        python-version: 3.8
+
+    - name: Upgrade pip
+      run: |
+        pip install --upgrade pip
+        pip --version
+
+    - name: Install requirements
+      run: |
+        pip install wheel
+        pip install -r requirements.txt
+      working-directory: ${{ env.galaxy-name }}
+
+    - name: Run molecule
+      run: molecule test
+      working-directory: ${{ env.galaxy-name }}
+      env:
+        MOLECULE_DISTRO: ${{ matrix.distro }}
+
+  release:
+    name: Publish to ansible-galaxy
+    if: github.event_name == 'push' && startsWith(github.event.ref, 'refs/tags')
+    needs: [pre-commit, molecule]
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v2
+    - uses: robertdebock/[email protected]
+      with:
+        galaxy_api_key: ${{ secrets.GALAXY_API_KEY }}

.gitignore

@@ -1 +1,5 @@
 *.swp
+.DS_Store
+.galaxy_install_info
+.vscode/
+.tox/

.pre-commit-config.yaml

@@ -0,0 +1,19 @@
+# For use with pre-commit.
+# See usage instructions at https://pre-commit.com
+repos:
+
+- repo: https://github.com/macisamuele/language-formatters-pre-commit-hooks
+  rev: v1.5.0
+  hooks:
+  - id: pretty-format-yaml
+    args: [--autofix, --indent, "2", --preserve-quotes]
+
+- repo: https://github.com/adrienverge/yamllint
+  rev: v1.25.0
+  hooks:
+  - id: yamllint
+
+- repo: https://github.com/ansible/ansible-lint
+  rev: v4.3.5
+  hooks:
+  - id: ansible-lint

.yamllint.yml

@@ -0,0 +1,9 @@
+extends: default
+rules:
+  document-start: disable
+  line-length:
+    max: 200
+    level: warning
+  indentation:
+    spaces: 2
+    indent-sequences: false

README.md

@@ -1,4 +1,6 @@
-[![Build Status](https://travis-ci.org/marvel-nccr/ansible-role-cp2k.svg?branch=master)](https://travis-ci.org/marvel-nccr/ansible-role-cp2k)
+[![CI](https://github.com/marvel-nccr/ansible-role-cp2k/workflows/CI/badge.svg)](https://github.com/marvel-nccr/ansible-role-cp2k/actions)
+[![Ansible Role](https://img.shields.io/ansible/role/25524.svg)](https://galaxy.ansible.com/marvel-nccr/cp2k)
+[![Release](https://img.shields.io/github/tag/marvel-nccr/ansible-role-cp2k.svg)](https://github.com/marvel-nccr/ansible-role-cp2k/releases)
 
 # Ansible Role: marvel-nccr.cp2k
 
@@ -14,22 +16,54 @@ See `defaults/main.yml`
 
 ## Example Playbook
 
-```
-- hosts: machines
+```yaml
+- hosts: servers
   roles:
-  - role: nccr-marvel.slurm
+  - role: marvel-nccr.cp2k
+```
+
+## Development and testing
+
+This role uses [Molecule](https://molecule.readthedocs.io/en/latest/#) and [Docker](https://www.docker.com/) for tests.
+
+After installing [Docker](https://www.docker.com/):
+
+Clone the repository into a package named `marvel-nccr.cp2k` (the folder must be named the same as the Ansible Galaxy name)
+
+```bash
+git clone https://github.com/marvel-nccr/ansible-role-cp2k marvel-nccr.cp2k
+cd marvel-nccr.cp2k
+```
+
+Then run:
+
+```bash
+pip install -r requirements.txt  # Installs molecule
+molecule test  # runs tests
 ```
 
-## Tests
+or use tox (see `tox.ini`):
 
-This role uses [Molecule](https://molecule.readthedocs.io/en/latest/#) and
-Docker for tests. Once Docker is installed, run tests using
+```bash
+pip install tox
+tox
+```
+
+## Code style
+
+Code style is formatted and linted with [pre-commit](https://pre-commit.com/).
 
 ```bash
-pip install -r requirements.txt
-molecule test
+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

defaults/main.yml

@@ -1,4 +1,3 @@
----
 cp2k_version: "7.1"
 cp2k_long_version: "v7.1.0"
 cp2k_apt_version: "5.1-3"
@@ -12,12 +11,12 @@ cp2k_bin_dir: "{{ cp2k_prefix }}/bin"
 cp2k_data_dir: "{{ cp2k_prefix }}/share/cp2k"
 
 cp2k_executables:
-  - name: cp2k
-    executable: cp2k.ssmp
-    download: cp2k-{{ cp2k_version }}-Linux-x86_64.ssmp
-    folder: "{{ cp2k_bin_dir }}"
-    plugin: cp2k
-    version: "{{ cp2k_version }}"
+- name: cp2k
+  executable: cp2k.ssmp
+  download: cp2k-{{ cp2k_version }}-Linux-x86_64.ssmp
+  folder: "{{ cp2k_bin_dir }}"
+  plugin: cp2k
+  version: "{{ cp2k_version }}"
 
 # binary download
 # cp2k_svn_url: "https://sourceforge.net/p/cp2k/code/HEAD/tree/branches/cp2k-6_1-branch/cp2k"

meta/main.yml

@@ -1,4 +1,3 @@
----
 allow_duplicates: false
 
 galaxy_info:
@@ -9,11 +8,11 @@ galaxy_info:
   license: MIT
   min_ansible_version: 2.7
   platforms:
-    - name: Ubuntu
-      versions:
-        - xenial
-        - bionic
+  - name: Ubuntu
+    versions:
+    - xenial
+    - bionic
   galaxy_tags:
-    - ubuntu
-    - application
-    - science
+  - ubuntu
+  - application
+  - science

molecule/default/converge.yml

@@ -1,16 +1,15 @@
----
 - name: Converge
   hosts: all
 
   pre_tasks:
-    - name: Update apt cache.
-      become: true
-      apt: update_cache=yes cache_valid_time=600
-      when: ansible_os_family == 'Debian'
+  - name: Update apt cache.
+    become: true
+    apt: update_cache=yes cache_valid_time=600
+    when: ansible_os_family == 'Debian'
 
   vars:
-    - run_tests: true
-    - cloud_platform: docker
+  - run_tests: true
+  - cloud_platform: docker
 
   roles:
-    - role: marvel-nccr.cp2k
+  - role: marvel-nccr.cp2k

molecule/default/molecule.yml

@@ -1,21 +1,29 @@
----
 dependency:
   name: galaxy
+#   requirements_file: molecule/default/requirements.yml
 driver:
   name: docker
-lint: |
-  set -e
-  yamllint .
-  ansible-lint
 platforms:
-  - name: instance
-    image: "${DOCKER_IMAGE:-marvelnccr/ubuntu-docker-base}:${DOCKER_IMAGE_VERSION:-latest}"
-    command: "${DOCKER_COMMAND:-sleep infinity}"
-    privileged: true
-    pre_build_image: true
+- name: instance
+  image: "marvelnccr/docker-${MOLECULE_DISTRO:-ubuntu1804}-ansible:latest"
+  # by default the container will initialise with systemd as PID1
+  command: ${MOLECULE_DOCKER_COMMAND:-""}
+  volumes:
+  - /sys/fs/cgroup:/sys/fs/cgroup:ro
+  privileged: true
+  pre_build_image: true
+  env:
+    LC_ALL: "en_US.UTF-8"
+    LANG: "en_US.UTF-8"
 provisioner:
   name: ansible
-  options:
-    v: true
+  # log: true  # use for debugging
   playbooks:
     converge: converge.yml
+  config_options:
+    defaults:
+      # nicer stdout printing
+      stdout_callback: yaml
+      bin_ansible_callbacks: true
+      # add timing to tasks
+      callback_whitelist: profile_tasks

requirements.txt

@@ -1,4 +1,5 @@
-molecule~=3.0
-docker
-yamllint
-ansible-lint
+# for running
+ansible~=2.10.0
+# for testing
+molecule[docker]~=3.1.0
+docker~=4.2

tasks/download_binary.yml

@@ -1,18 +1,17 @@
----
 - name: install required packages
   become: true
   apt:
     name:
-      - bzip2
+    - bzip2
 
 - name: make cp2k directories
   become: true
   file:
     dest: "{{ item }}"
     state: directory
   with_items:
-    - "{{ cp2k_bin_dir }}"
-    - "{{ cp2k_data_dir }}"
+  - "{{ cp2k_bin_dir }}"
+  - "{{ cp2k_data_dir }}"
 
 - name: download cp2k binary
   become: true
@@ -37,18 +36,18 @@
     # with the default timeout of 10s
     timeout: 30
   with_items:
-    - BASIS_MOLOPT
-    - POTENTIAL
-    - ALL_BASIS_SETS
-    - ALL_POTENTIALS
+  - BASIS_MOLOPT
+  - POTENTIAL
+  - ALL_BASIS_SETS
+  - ALL_POTENTIALS
 
 - name: download copyright notice
   become: true
   get_url:
     url: "{{ cp2k_git_url }}/{{ item }}"
     dest: "{{ cp2k_data_dir }}"
   with_items:
-    - COPYRIGHT
+  - COPYRIGHT
 
 - name: "Add CP2K_DATA_DIR environment variable"
   become: true