Linux

Linux #59

# to view logs

	name: Linux

	on:
	push:
	branches:
	- "main"
	pull_request:
	branches:
	- "main"
	schedule:
	# Weely tests run on Sundays at 4 AM UTC (12 AM EST):
	- cron: "0 4 * * 0"

	jobs:
	unix:
	runs-on: ${{ matrix.os }}
	name: Python ${{ matrix.python-version }}, OpenMM ${{ matrix.openmm-version }}, GCC ${{ matrix.gcc-version }}
	strategy:
	fail-fast: false
	matrix:
	include:
	# Oldest supported versions
	- os: ubuntu-latest
	python-version: "3.9"
	openmm-version: "8.1"
	gcc-version: "9"

	# Latest supported versions
	- os: ubuntu-latest
	python-version: "3.11"
	openmm-version: "8.1"
	gcc-version: "13"

	steps:
	- name: "Check out"
	uses: actions/checkout@v3

	- name: "Additional info about the build"
	shell: bash
	run: \|
	uname -a
	df -h
	ulimit -a

	- name: "Install Micromamba"
	uses: mamba-org/setup-micromamba@v1
	with:
	environment-file: devtools/conda-envs/build-${{ matrix.os }}.yml
	environment-name: build
	create-args: >-
	python=${{ matrix.python-version }}
	gxx_linux-64=${{ matrix.gcc-version }}
	openmm=${{ matrix.openmm-version }}

	- name: "List conda packages"
	shell: bash -l {0}
	run: micromamba list

	- name: "Configure"
	shell: bash -l {0}
	run: \|
	mkdir build
	cd build
	cmake -DCMAKE_BUILD_TYPE=Release ..

	- name: "Build"
	shell: bash -l {0}
	run: \|
	cd build
	make -j2 install
	make -j2 PythonWrapper
	pip install --no-deps -e python/

	- name: "Run C++ test"
	shell: bash -l {0}
	run: \|
	cd build
	ctest --output-on-failure

	- name: "Run Python test"
	shell: bash -l {0}
	run: \|
	cd build/python
	pytest

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