build

Split up requirements for rxn and graph #103

	name: build

	on:
	push:
	paths-ignore:
	- "README.md"
	- "docs/**"

	pull_request:
	paths-ignore:
	- "README.md"
	- "docs/*"
	- "CHANGELOG.md"
	- "CONTRIBUTORS.md"
	- "CONTRIBUTING.md"
	- "imgs/"

	jobs:
	build_cpu:
	runs-on: ubuntu-18.04
	strategy:
	matrix:
	python-version: [3.7, 3.8, 3.9, 3.11]
	steps:
	- name: Checkout repository
	uses: actions/checkout@v2
	# See: https://github.com/marketplace/actions/setup-conda
	- name: Setup anaconda
	uses: s-weigand/setup-conda@v1
	with:
	python-version: ${{ matrix.python-version }}
	conda-channels: "conda-forge"

	- name: Install GAUCHE
	run: pip install -e .
	- name: Install rnxfp
	run: pip install --no-deps rxnfp
	- name: Install drfp
	run: pip install --no-deps drfp
	- name: Install transformers
	run: pip install transformers
	- name: Run unit tests and generate coverage report
	run: pytest .
	- name: Test notebook execution
	run: pytest --nbval-lax notebooks/ --current-env

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