Add NPT for ASE Molecular Dynamics #7

	name: MatGL Unittest Linux 3.11

	on:
	push:
	branches: [ main ]
	pull_request:

	jobs:
	build:
	runs-on: ubuntu-latest
	steps:
	- uses: actions/checkout@v4
	- name: Merge Notebook environment
	run: \|
	cp .ci_support/environment.yml environment.yml
	tail --lines=+4 .ci_support/environment-matgl.yml >> environment.yml
	- name: Setup Mambaforge
	uses: conda-incubator/setup-miniconda@v2
	with:
	python-version: '3.11'
	miniforge-variant: Mambaforge
	channels: conda-forge
	channel-priority: strict
	activate-environment: my-env
	environment-file: environment.yml
	use-mamba: true
	- name: Test
	shell: bash -l {0}
	timeout-minutes: 60
	run: \|
	pip install versioneer[toml]==0.29
	pip install . --no-deps --no-build-isolation
	python -m unittest tests/test_evcurve_ase_matgl.py
	python -m unittest tests/test_phonons_ase_matgl.py
	python -m unittest tests/test_quasiharmonic_ase_matgl.py
	python -m unittest tests/test_ase_md_matgl.py

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