QM40 Dataset for large molecule QM property prediction #10456

	name: Testing PyTorch nightly

	on: # yamllint disable-line rule:truthy
	push:
	branches:
	- master
	pull_request:

	jobs:

	latest_pytest:
	runs-on: ubuntu-latest

	steps:
	- name: Checkout repository
	uses: actions/checkout@v4
	with:
	fetch-depth: 40

	# Skip workflow if only certain files have been changed.
	- name: Get changed files
	id: changed-files-specific
	uses: tj-actions/changed-files@v41
	with:
	files: \|
	benchmark/**
	conda/**
	docker/**
	docs/**
	examples/**
	graphgym/**
	README.md
	CHANGELOG.md

	- name: Setup packages
	if: steps.changed-files-specific.outputs.only_changed != 'true'
	uses: ./.github/actions/setup
	with:
	torch-version: nightly

	- name: Install mpmath
	run: \|
	pip install mpmath==1.3.0

	- name: Install main package
	if: steps.changed-files-specific.outputs.only_changed != 'true'
	run: \|
	pip install -e .[test]

	- name: Run tests
	if: steps.changed-files-specific.outputs.only_changed != 'true'
	timeout-minutes: 10
	run: \|
	pytest

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