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mod: integrals over shells are now stored in 1d arrays #49

mod: integrals over shells are now stored in 1d arrays

mod: integrals over shells are now stored in 1d arrays #49

Workflow file for this run

name: Python package
on: [push]
jobs:
build:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ["3.9", "3.10", "3.11", "3.12"]
steps:
- uses: actions/checkout@v3
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install ruff
if [ -f requirements.txt ]; then pip install -r requirements.txt; fi
- name: Check for syntax errors and undefined names with ruff
run: |
ruff --output-format=github --select=E9,F63,F7,F82 --target-version=py39 sympleints
- name: Basic linting ruff
run: |
ruff --output-format=github --target-version=py39 sympleints
continue-on-error: true
- name: Install sympleints
run: |
python -m pip install .[test]
- name: Test with pytest
run: >
pytest ./tests
-v
--junitxml=junit/test-results-${{ matrix.python-version }}.xml
--cov=sympleints
--cov-report=xml:coverage-${{ matrix.python-version }}.xml
--cov-report=html:coverage-${{ matrix.python-version }}.html
- name: Keep pytest results
uses: actions/upload-artifact@v3
with:
name: pytest-results-${{ matrix.python-version }}
path: |
junit/test-results-${{ matrix.python-version }}.xml
coverage-${{ matrix.python-version }}.xml
coverage-${{ matrix.python-version }}.html
# Use always() to always run this step to publish test results when there are test failures
if: ${{ always() }}