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Add SOAP-BPNN

Add SOAP-BPNN #58

Workflow file for this run

name: Tests
on:
push:
branches: [main]
pull_request:
# Check all PR
jobs:
tests:
runs-on: ${{ matrix.os }}
strategy:
matrix:
include:
- os: ubuntu-22.04
python-version: "3.8"
- os: ubuntu-22.04
python-version: "3.11"
- os: macos-11
python-version: "3.11"
# To be restored once we figure out the issue with the windows build
# - os: windows-2019
# python-version: "3.11"
steps:
- uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
- run: pip install tox
- name: run Python tests
run: tox -e tests
env:
# Use the CPU only version of torch when building/running the code
PIP_EXTRA_INDEX_URL: https://download.pytorch.org/whl/cpu
- name: Upload codecoverage
uses: codecov/codecov-action@v3
with:
files: ./tests/coverage.xml