Small QM/MM fix #161

	# Testing with conda - heavier than the PIP version,
	# this includes different engines and plugins

	name: Tests with Conda

	on:
	push:
	branches: [ master ]
	pull_request:
	# The branches below must be a subset of the branches above
	branches: [ master ]
	schedule:
	- cron: '36 21 * * 6'

	jobs:
	build-linux:
	runs-on: ubuntu-latest

	steps:
	- uses: actions/checkout@v3

	- 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: Configure Conda
	# run: conda config --set channel_priority flexible
	- name: Install Mamba
	run: conda install -c conda-forge mamba

	- name: Install Dependencies
	run: mamba env update --file=devtools/conda-envs/latest.yaml --name=base

	- name: pytest
	run: pytest -v --cov=geometric geometric/tests/

	# LPW 2022-10-03 Commenting out because GH Actions cannot test or cover Engine interfaces to commercial packages.
	# Enabling Codecov upload for GH Actions would undercount the lines actually covered.
	# - name: Codecov upload
	# uses: codecov/codecov-action@v1
	# with:
	# flags: unittests-conda
	# fail_ci_if_error: true
	# verbose: true

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