update #1138

	name: Sandpit_exs_CI

	on:
	# run once a day at noon UTC
	schedule:
	- cron: "0 12 * * *"
	push:
	pull_request:
	workflow_dispatch:

	defaults:
	run:
	shell: bash -l {0}

	jobs:
	test:
	runs-on: ${{ matrix.os }}
	strategy:
	fail-fast: false
	matrix:
	os: ["ubuntu-latest", ]
	python-version: ["3.11",]

	steps:
	- uses: actions/checkout@v2

	- uses: conda-incubator/setup-miniconda@v2
	with:
	auto-update-conda: true
	python-version: ${{ matrix.python-version }}
	activate-environment: bss_build
	miniforge-version: latest

	- name: Install dependency
	run: \|
	conda install -c conda-forge -c openbiosim/label/main biosimspace python=3.11 ambertools gromacs "sire=2024.3.0" "alchemlyb>=2.1" pytest openff-interchange pint=0.21 rdkit "jaxlib>0.3.7" tqdm
	python -m pip install git+https://github.com/Exscientia/MDRestraintsGenerator.git
	# For the testing of BSS.FreeEnergy.AlchemicalFreeEnergy.analysis
	python -m pip install https://github.com/alchemistry/alchemtest/archive/master.zip

	- name: Install the dev version
	run: \|
	conda remove --force biosimspace
	cd python
	python setup.py develop
	cd ..

	- name: Run tests
	run: \|
	pytest -v --color=yes tests/Sandpit/Exscientia/

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