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tests.yml
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name: Run PySCF Tests
on:
push:
branches:
- main
pull_request:
branches:
- main
jobs:
build:
runs-on: ubuntu-20.04
strategy:
matrix:
python-version: ['3.10', '3.11']
defaults:
run:
shell: bash -el {0}
steps:
- uses: actions/checkout@v3
- name: Setup conda environment
uses: mamba-org/setup-micromamba@v1
with:
micromamba-version: '1.5.6-0' # any version from https://github.com/mamba-org/micromamba-releases
environment-file: .github/workflows/nocomp_env.yml
environment-name: run_tests
init-shell: >-
bash
powershell
cache-environment: true
post-cleanup: 'all'
create-args: >-
python=3.10
env:
GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
- name: Install dependencies and build
run: |
sudo apt-get -qq install gcc libblas-dev cmake
- name: Build things
run: |
source .github/workflows/load_conda.sh
python setup.py build_ext --inplace
python scripts/download_functionals.py
- name: Test with unittest
run: |
# See https://github.com/pytest-dev/pytest/issues/1075
source .github/workflows/load_conda.sh
sh .github/workflows/run_tests.sh
# PYTHONHASHSEED=0 OMP_NUM_THREADS=2 python -m unittest discover ciderpress/dft/tests/