Improved interface for GAME-Net_UQ. Adds UQ as selection criteria #411

	name: Python Package using Conda

	on: [push]

	jobs:
	build-linux:
	runs-on: ubuntu-latest
	strategy:
	max-parallel: 5

	steps:
	- uses: actions/checkout@v4
	- name: Set up Python 3.11
	uses: actions/setup-python@v3
	with:
	python-version: '3.11'
	- name: Add conda to system path
	run: \|
	# $CONDA is an environment variable pointing to the root of the miniconda directory
	echo $CONDA/bin >> $GITHUB_PATH
	- name: Install care
	run: \|
	conda create -n care_test python=3.11
	source $CONDA/etc/profile.d/conda.sh
	conda activate care_test
	conda install pytorch cpuonly pyg pytorch-scatter -c pytorch -c pyg
	pip install .
	pip install fairchem-core
	pip install mace-torch
	- name: Install Julia and dependencies
	run: \|
	source $CONDA/etc/profile.d/conda.sh
	conda activate care_test
	curl -y -fsSL https://install.julialang.org \| sh
	pip install juliacall
	julia -e 'import Pkg; Pkg.add("DifferentialEquations"); Pkg.add("DiffEqGPU"); Pkg.add("CUDA");'
	- name: Lint with flake8
	run: \|
	source $CONDA/etc/profile.d/conda.sh
	conda activate care_test
	pip install flake8
	# stop the build if there are Python syntax errors or undefined names
	flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics
	# exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide
	flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics
	- name: Test with pytest
	run: \|
	source $CONDA/etc/profile.d/conda.sh
	conda activate care_test
	pip install pytest
	pytest

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