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Rework Combination class #347

Rework Combination class

Rework Combination class #347

Workflow file for this run

name: CI
on:
push:
branches:
- "main"
pull_request:
branches:
- "main"
schedule:
- cron: "0 0 * * *"
jobs:
test:
name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }}
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [macOS-latest, ubuntu-latest]
python-version: [3.9, "3.10"]
steps:
- uses: actions/checkout@v3
- name: Additional info about the build
shell: bash
run: |
uname -a
df -h
ulimit -a
# More info on options: https://github.com/conda-incubator/setup-miniconda
- name: Setup Micromamba
uses: mamba-org/provision-with-micromamba@main
with:
environment-file: devtools/conda-envs/test_env.yaml
environment-name: test
extra-specs: |
python==${{ matrix.python-version }}
- name: Install package
# conda setup requires this special shell
shell: bash -l {0}
run: |
python -m pip install . --no-deps
micromamba list
- name: Run tests
# conda setup requires this special shell
shell: bash -l {0}
run: |
pytest -v --cov=mtenn --cov-report=xml --color=yes mtenn/tests/
- name: CodeCov
if: ${{ github.repository == 'choderalab/mtenn'
&& github.event != 'schedule' }}
uses: codecov/codecov-action@v1
with:
file: ./coverage.xml
flags: unittests
name: codecov-${{ matrix.os }}-py${{ matrix.python-version }}