Use rdkit from Rust to fragment SMILES #513

	name: Test

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

	env:
	CARGO_TERM_COLOR: always

	jobs:
	test_crates:
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	crate: [feos-core, feos-dft]
	steps:
	- uses: actions/checkout@v3
	- name: Build
	run: cargo build --release -p ${{ matrix.crate }}
	- name: Run tests
	run: cargo test --release -p ${{ matrix.crate }}

	test_models:
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	model: [pcsaft, gc_pcsaft, pets, uvtheory, saftvrqmie]

	steps:
	- uses: actions/checkout@v3
	- name: Build
	run: cargo build --release --features ${{ matrix.model }}
	- name: Run tests
	run: cargo test --release --features ${{ matrix.model }}

	test_models_dft:
	runs-on: ubuntu-latest
	strategy:
	fail-fast: false
	matrix:
	model: [pcsaft, gc_pcsaft]

	steps:
	- uses: actions/checkout@v3
	- name: Build
	run: cargo build --release --features "${{ matrix.model }} dft"
	- name: Run tests
	run: cargo test --release --features "${{ matrix.model }} dft"

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