Add interface for cp2k #8

	name: cp2k Unittest Linux 3.11

	on:
	push:
	branches: [ main ]
	pull_request:
	branches: [ main ]

	env:
	GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
	CODACY_PROJECT_TOKEN: ${{ secrets.CODACY_PROJECT_TOKEN }}

	jobs:
	build:

	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v2
	- name: Merge Notebook environment
	run: \|
	python .ci_support/condamerge.py --base .ci_support/environment.yml --add .ci_support/environment-cp2k.yml > environment.yml
	- name: Setup Mambaforge
	uses: conda-incubator/setup-miniconda@v2
	with:
	python-version: '3.9'
	miniforge-variant: Mambaforge
	channels: conda-forge
	channel-priority: strict
	activate-environment: my-env
	use-mamba: true
	- name: Update environment
	run: mamba env update -n my-env -f environment.yml
	- name: Setup
	shell: bash -l {0}
	run: \|
	pip install --no-deps .
	- name: Test
	shell: bash -l {0}
	timeout-minutes: 30
	run: \|
	python -m unittest tests/test_evcurve_cp2k.py
	python -m unittest tests/test_elastic_cp2k.py
	python -m unittest tests/test_phonons_cp2k.py
	env:
	OMPI_MCA_plm: isolated
	OMPI_MCA_btl_vader_single_copy_mechanism: none
	OMPI_MCA_rmaps_base_oversubscribe: yes

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