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Add PyPI release draft #187

Add PyPI release draft

Add PyPI release draft #187

Workflow file for this run

name: pytest
on:
push:
branches:
- main
tags-ignore:
- '**'
pull_request:
jobs:
pytest:
name: "Python ${{ matrix.py }} on OS ${{ matrix.os }}"
runs-on: ${{ matrix.os }}
env:
COVERAGE_SINGLE: 78
COVERAGE_TOTAL: 78
strategy:
matrix:
os: ["ubuntu-latest", "windows-latest"]
py: ["3.9", "3.10", "3.11", "3.12"]
steps:
- uses: "actions/checkout@v4"
- name: Setup python for test ${{ matrix.py }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.py }}
- name: Install old versions of supported dependencies
if: ${{ matrix.py == '3.9'}}
# Ensure these versions are consistent with the minimal version requirements
# in pyproject.toml
run: pip install numpy==1.22 scipy==1.11.1
- name: Install development version
run: |
# Need editable mode in order to include the test files
pip install -e .[dev,iodata]
- name: Install Libcint library
if: ${{ matrix.os != 'windows-latest' }}
run: |
echo "${{ matrix.os }}"
sudo apt-get install -y sbcl
USE_LIBCINT=1 ./tools/install_libcint.sh
- name: Run Pytest
run: |
pytest --cov=./gbasis/ --cov-fail-under=78 --cov-report term .