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Enable CI: import smoke test on push and pull requests #1

Enable CI: import smoke test on push and pull requests

Enable CI: import smoke test on push and pull requests #1

Workflow file for this run

# Public smoke test for MLatom — "does the package import cleanly".
#
# Runs on every push to main and every pull request. It installs the minimal
# eager-import dependencies (verified from a clean environment) and imports
# MLatom on Linux across the supported Python versions. Heavy backends (torch,
# dftd4, Gaussian, ORCA, …) and actual calculations are validated separately.
name: CI
on:
push:
branches: [main]
pull_request:
workflow_dispatch:
env:
MLATOM_NO_VERSION_CHECK: "1" # do not phone home to PyPI during CI
jobs:
import-smoke:
name: import (py${{ matrix.python-version }})
runs-on: ubuntu-latest
strategy:
fail-fast: false
matrix:
python-version: ["3.9", "3.10", "3.11"]
steps:
- uses: actions/checkout@v4
- uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
# The dependencies `import mlatom` actually needs at load time.
- name: Install eager-import dependencies
run: python -m pip install --upgrade pip numpy scipy joblib h5py requests tqdm psutil
- name: Import MLatom
run: python -c "import mlatom; print('MLatom', mlatom.__version__)"