Add support for Orb models #17

	name: OpenMM-ML Continuous Integration Workflow

	on:
	push:
	branches:
	- main
	pull_request:
	branches:
	- main

	jobs:
	build_test:
	runs-on: ubuntu-latest
	strategy:
	matrix:
	python-version: ["3.14"]
	requirements: ["mace-aimnet-torchmd", "nequip", "fennix"]
	include:
	- python-version: "3.12"
	requirements: "orb"

	steps:
	- uses: actions/checkout@v2
	name: "Checkout the source code"

	- uses: mamba-org/setup-micromamba@v1
	with:
	environment-name: build-env
	create-args: >-
	python=${{ matrix.python-version }}
	init-shell: bash

	- name: "Install dependencies with pip"
	shell: bash -l {0}
	run: \|
	pip install --pre openmm
	pip install -v -r devtools/requirements/${{ matrix.requirements }}.txt

	- name: "Install OpenMM-ML"
	shell: bash -l {0}
	run: \|
	pip install .

	- name: "Run tests"
	shell: bash -l {0}
	run: \|
	cd test
	pytest -v *

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