ShellExecutor: Add the option to execute shell tasks in a separate conda environment #47

	# This workflow is used to run the unittest of pyiron

	name: Benchmark

	on:
	push:
	branches: [ main ]
	pull_request:
	branches: [ main ]

	jobs:
	build:

	runs-on: ${{ matrix.operating-system }}
	strategy:
	matrix:
	include:
	- operating-system: ubuntu-latest
	python-version: '3.12'
	label: linux-64-py-3-12-openmpi
	prefix: /Users/runner/miniconda3/envs/my-env
	environment-file: .ci_support/environment-openmpi.yml

	- operating-system: ubuntu-latest
	python-version: '3.12'
	label: linux-64-py-3-12-mpich
	prefix: /usr/share/miniconda3/envs/my-env
	environment-file: .ci_support/environment-mpich.yml

	steps:
	- uses: actions/checkout@v2
	- uses: conda-incubator/setup-miniconda@v2.2.0
	with:
	python-version: ${{ matrix.python-version }}
	mamba-version: "*"
	channels: conda-forge
	miniforge-variant: Mambaforge
	channel-priority: strict
	auto-update-conda: true
	environment-file: ${{ matrix.environment-file }}
	- name: Test
	shell: bash -l {0}
	timeout-minutes: 10
	run: \|
	pip install versioneer[toml]==0.29
	pip install . --no-deps --no-build-isolation
	python tests/benchmark/llh.py static >> timing.log
	python tests/benchmark/llh.py process >> timing.log
	python tests/benchmark/llh.py thread >> timing.log
	mpiexec -n 4 python -m mpi4py.futures tests/benchmark/llh.py mpi4py >> timing.log
	python tests/benchmark/llh.py pympipool >> timing.log
	cat timing.log
	python -m unittest tests/benchmark/test_results.py
	env:
	OMPI_MCA_plm: 'isolated'
	OMPI_MCA_rmaps_base_oversubscribe: 'yes'
	OMPI_MCA_btl_vader_single_copy_mechanism: 'none'

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