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update to peotry as a buildsystem and update dependencies #127

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update to peotry as a buildsystem and update dependencies

update to peotry as a buildsystem and update dependencies #127

Workflow file for this run

.github/workflows/CI_build.yml at 92b5b30
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-3.8 / ubuntu-latest
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: 3.9
- name: Python info
run: |
which python
python --version
- name: Build package and create dev environment
run: |
python -m pip install --upgrade pip
pip install -e .[dev]
- name: Show pip list
run: |
pip list
- name: Test with coverage
run: |
pytest --cov --cov-report term --cov-report xml --junitxml=xunit-result.xml
- name: Correct coverage paths
run: sed -i "s+$PWD/++g" coverage.xml
- name: Check style against standards using prospector
shell: bash -l {0}
run: prospector -o grouped -o pylint:pylint-report.txt
- name: Check whether import statements are used consistently
run: isort . --check-only --diff
build_pypi:
name: Test pypi build
runs-on: ubuntu-latest
needs: first_check
steps:
- uses: actions/checkout@v4
- name: Set up Python 3.9
uses: actions/setup-python@v5
with:
python-version: 3.9
- name: Python info
run: |
which python
python --version
- name: Install dependencies
run: |
python -m pip install --upgrade pip
- name: Build package
run: |
pip install wheel twine
python setup.py sdist bdist_wheel
- name: Test package
run: |
python -m twine check dist/*
- name: Show pip list
run: |
pip list
- name: Install development dependencies
run: |
pip install -e .[dev]
- name: Show pip list again
run: |
pip list
- name: Run tests
run: |
pytest
- name: Show environment variables
shell: bash -l {0}
run: |
env | sort
test_dev:
name: test dev environment / python-${{ 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: ['3.8', '3.9', '3.10', '3.11']
exclude:
- os: ubuntu-latest
python-version: 3.9
steps:
- uses: actions/checkout@v2
with:
fetch-depth: "0"
- name: Create conda environment
uses: conda-incubator/setup-miniconda@v3
with:
auto-update-conda: true
python-version: ${{ matrix.python-version }}
- name: Show conda config
shell: bash -l {0}
run: |
conda info
conda list
conda config --show-sources
conda config --show
conda env list
- name: Python info
shell: bash -l {0}
run: |
which python
python --version
- name: Show environment variables
shell: bash -l {0}
run: |
env | sort
- name: Install conda dependencies
shell: bash -l {0}
run: |
conda install -c conda-forge rdkit
- name: Install dev dependencies
shell: bash -l {0}
run: |
python -m pip install --upgrade pip
pip install -e .[dev]
- name: Show pip list
shell: bash -l {0}
run: pip list
- name: Run tests
shell: bash -l {0}
run: pytest