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Update pyproject.toml #151

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Update pyproject.toml

Update pyproject.toml #151

Workflow file for this run

.github/workflows/CI_build.yml at 51a10e0
name: CI Build
on:
push:
pull_request:
types: [opened, reopened]
workflow_dispatch:
inputs:
tag:
description: Tag for manually running CI Build workflow
required: False
default: ''
jobs:
first_check:
name: first code check / python-3.10 / ubuntu-latest
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.10
uses: actions/setup-python@v5
with:
python-version: '3.10'
- name: Python info
run: |
which python
python --version
- name: Build package and create dev environment
run: |
python -m pip install --upgrade pip poetry
poetry lock
poetry install --with dev
- name: Show pip list
run: |
pip list
- name: Test with coverage
run: |
poetry run pytest --cov --cov-report term --cov-report xml --junitxml=xunit-result.xml
- name: Correct coverage paths
run: sed -i "s+$PWD/++g" coverage.xml
- name: Check style against standards using prospector
shell: bash -l {0}
run: poetry run prospector -o grouped -o pylint:pylint-report.txt
- name: Check whether import statements are used consistently
run: poetry run isort . --check-only --diff
build_pypi:
name: Test pypi build
runs-on: ubuntu-latest
needs: first_check
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.10
uses: actions/setup-python@v5
with:
python-version: '3.10'
- name: Python info
run: |
which python
python --version
- name: Install dependencies
run: |
python -m pip install --upgrade pip poetry twine
- name: Build package
run: |
poetry build
- name: Test package
run: |
poetry lock
poetry install --only dev
python -m twine check dist/*
- name: Show pip list
run: |
pip list
- name: Install development dependencies
run: |
poetry lock
poetry install
- name: Show pip list again
run: |
pip list
- name: Run tests
run: |
poetry run pytest
- name: Show environment variables
shell: bash -l {0}
run: |
env | sort
test_dev:
name: test dev environment / python-${{ matrix.python-version }} / ${{ matrix.os }}
runs-on: ${{ matrix.os }}
needs: first_check
strategy:
fail-fast: false
matrix:
os: ['ubuntu-latest', 'macos-latest', 'windows-latest']
python-version: ['3.10', '3.11', '3.12']
steps:
- uses: actions/checkout@v4
- name: Set up Python
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
- name: Python info
run: |
which python
python --version
- name: Install dependencies (includinv dev + chemistry)
run: |
python -m pip install --upgrade pip poetry
poetry lock
poetry install
- name: Show pip list
run: |
pip list
- name: Run tests
run: |
poetry run pytest