Merge pull request #489 from OpenCOMPES/create-pull-request/patch #157

	name: benchmark

	# Triggers the workflow on push to the pullrequest-token branches, and to main
	on:
	workflow_dispatch:
	push:
	branches: [ main, create-pull-request/patch ]
	paths-ignore:
	pyproject.toml

	jobs:
	benchmark:
	runs-on: ubuntu-latest
	steps:
	# Check out repo and set up Python
	- name: Check out the repository
	uses: actions/checkout@v4
	with:
	lfs: true

	- uses: tibdex/github-app-token@v1
	id: generate-token
	with:
	app_id: ${{ secrets.APP_ID }}
	private_key: ${{ secrets.APP_PRIVATE_KEY }}

	# Use cached python and dependencies, install poetry
	- name: "Setup Python, Poetry and Dependencies"
	uses: packetcoders/action-setup-cache-python-poetry@main
	with:
	python-version: 3.8
	poetry-version: 1.2.2

	- name: Install project dependencies
	run: poetry install

	# Run benchmarks
	- name: Run benchmarks on python 3.8
	run: \|
	poetry run pytest --full-trace --show-capture=no -sv benchmarks/benchmark_*.py

	- name: Obtain git status
	id: status
	run: \|
	exec 5>&1
	STATUS=$(git status\|tee >(cat - >&5))
	echo "STATUS<<EOF" >> $GITHUB_OUTPUT
	echo "$STATUS" >> $GITHUB_OUTPUT
	echo "EOF" >> $GITHUB_OUTPUT

	# create pull request if necessary
	- name: "Create Pull Request"
	uses: peter-evans/create-pull-request@v6
	if: ${{ contains(steps.status.outputs.STATUS, 'benchmark_targets.yaml')}}
	with:
	token: ${{ steps.generate-token.outputs.token }}
	commit-message: Update benchmark targets
	title: "Update benchmark targets"
	branch: "update_benchmark_targets"
	body: \|
	Generated new benchmark targets.

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