test

Print full list of vibrational states #630

	permissions:
	contents: read
	on:
	push:
	branches: [master]
	pull_request:
	name: test
	jobs:
	required:
	runs-on: ubuntu-latest
	name: ubuntu / ${{ matrix.toolchain }}
	strategy:
	matrix:
	toolchain: [nightly]
	steps:
	- uses: actions/checkout@v4
	with:
	submodules: true
	- name: Install ${{ matrix.toolchain }}
	uses: dtolnay/rust-toolchain@master
	with:
	toolchain: ${{ matrix.toolchain }}
	- name: cargo generate-lockfile
	if: hashFiles('Cargo.lock') == ''
	run: cargo generate-lockfile
	- name: Cache mopac
	id: cache-mopac
	uses: actions/cache@v4
	with:
	path: \|
	mopac/build/mopac
	mopac/build/libmopac.so.1
	key: ${{ runner.os }}-build-mopac
	- name: install mopac
	if: steps.cache-mopac.outputs.cache-hit != 'true'
	run: \|
	sudo apt install -y python3 python3-numpy
	git clone https://github.com/openmopac/mopac.git
	cd mopac
	mkdir build
	cd build
	cmake ..
	make
	- name: copy over mopac
	run: \|
	mkdir -p /opt/mopac
	cp mopac/build/mopac /opt/mopac/.
	# https://twitter.com/jonhoo/status/1571290371124260865
	- name: cargo test --locked
	run: cargo test --locked --all-features --all-targets -- --include-ignored -- --test-threads=1

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