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Pre-commit: Add automatic formatters for TOML and YAML files #54

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merged 1 commit into from
Nov 29, 2023
Merged

Pre-commit: Add automatic formatters for TOML and YAML files #54

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160 changes: 80 additions & 80 deletions .github/workflows/cd.yml
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Original file line number Diff line number Diff line change
@@ -1,113 +1,113 @@
name: cd

on:
push:
tags:
- 'v[0-9]+.[0-9]+.[0-9]+*'
push:
tags:
- v[0-9]+.[0-9]+.[0-9]+*

jobs:

validate-release-tag:
validate-release-tag:

if: github.repository == 'microsoft/aiida-pyscf'
runs-on: ubuntu-latest
if: github.repository == 'microsoft/aiida-pyscf'
runs-on: ubuntu-latest

steps:
- name: Checkout source
uses: actions/checkout@v2
steps:
- name: Checkout source
uses: actions/checkout@v2

- name: Set up Python 3.10
uses: actions/setup-python@v4
with:
python-version: '3.10'
- name: Set up Python 3.10
uses: actions/setup-python@v4
with:
python-version: '3.10'

- name: Validate the tag version against the package version
run: python .github/workflows/validate_release_tag.py $GITHUB_REF
- name: Validate the tag version against the package version
run: python .github/workflows/validate_release_tag.py $GITHUB_REF

pre-commit:
pre-commit:

needs: [validate-release-tag]
runs-on: ubuntu-latest
needs: [validate-release-tag]
runs-on: ubuntu-latest

steps:
- uses: actions/checkout@v2
steps:
- uses: actions/checkout@v2

- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10'
cache: 'pip'
cache-dependency-path: pyproject.toml
- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10'
cache: pip
cache-dependency-path: pyproject.toml

- name: Update pip and install wheel
run: pip install -U pip wheel
- name: Update pip and install wheel
run: pip install -U pip wheel

- name: Install Python package and dependencies
run: pip install -e .[pre-commit,tests]
- name: Install Python package and dependencies
run: pip install -e .[pre-commit,tests]

- name: Run pre-commit
run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
- name: Run pre-commit
run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )

tests:
tests:

needs: [validate-release-tag]
runs-on: ubuntu-latest
timeout-minutes: 60
needs: [validate-release-tag]
runs-on: ubuntu-latest
timeout-minutes: 60

strategy:
matrix:
python-version: ['3.8', '3.9', '3.10', '3.11']
strategy:
matrix:
python-version: ['3.8', '3.9', '3.10', '3.11']

services:
rabbitmq:
image: rabbitmq:latest
ports:
- 5672:5672
services:
rabbitmq:
image: rabbitmq:latest
ports:
- 5672:5672

steps:
- uses: actions/checkout@v2
steps:
- uses: actions/checkout@v2

- name: Install Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: 'pip'
cache-dependency-path: pyproject.toml
- name: Install Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: pip
cache-dependency-path: pyproject.toml

- name: Install system dependencies
run: sudo apt update && sudo apt install postgresql
- name: Install system dependencies
run: sudo apt update && sudo apt install postgresql

- name: Update pip and install wheel
run: pip install -U pip wheel
- name: Update pip and install wheel
run: pip install -U pip wheel

- name: Install Python package and dependencies
run: pip install -e .[tests]
- name: Install Python package and dependencies
run: pip install -e .[tests]

- name: Run pytest
env:
AIIDA_WARN_v3: true
run: pytest -sv tests
- name: Run pytest
env:
AIIDA_WARN_v3: true
run: pytest -sv tests

publish:
publish:

name: Publish to PyPI
needs: [pre-commit, tests]
runs-on: ubuntu-latest
name: Publish to PyPI
needs: [pre-commit, tests]
runs-on: ubuntu-latest

steps:
- name: Checkout source
uses: actions/checkout@v2
steps:
- name: Checkout source
uses: actions/checkout@v2

- name: Set up Python 3.10
uses: actions/setup-python@v4
with:
python-version: '3.10'
- name: Set up Python 3.10
uses: actions/setup-python@v4
with:
python-version: '3.10'

- name: Install flit
run: pip install flit~=3.4
- name: Install flit
run: pip install flit~=3.4

- name: Build and publish
run: flit publish
env:
FLIT_USERNAME: __token__
FLIT_PASSWORD: ${{ secrets.PYPI_KEY }}
- name: Build and publish
run: flit publish
env:
FLIT_USERNAME: __token__
FLIT_PASSWORD: ${{ secrets.PYPI_KEY }}
92 changes: 46 additions & 46 deletions .github/workflows/ci.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -4,65 +4,65 @@ on: [push, pull_request]

jobs:

pre-commit:
pre-commit:

runs-on: ubuntu-latest
runs-on: ubuntu-latest

steps:
- uses: actions/checkout@v2
steps:
- uses: actions/checkout@v2

- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10'
cache: 'pip'
cache-dependency-path: pyproject.toml
- name: Install Python
uses: actions/setup-python@v4
with:
python-version: '3.10'
cache: pip
cache-dependency-path: pyproject.toml

- name: Update pip and install wheel
run: pip install -U pip wheel
- name: Update pip and install wheel
run: pip install -U pip wheel

- name: Install Python package and dependencies
run: pip install -e .[pre-commit,tests]
- name: Install Python package and dependencies
run: pip install -e .[pre-commit,tests]

- name: Run pre-commit
run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
- name: Run pre-commit
run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )

tests:
tests:

runs-on: ubuntu-latest
timeout-minutes: 60
runs-on: ubuntu-latest
timeout-minutes: 60

strategy:
fail-fast: false
matrix:
python-version: ['3.8', '3.9', '3.10', '3.11']
strategy:
fail-fast: false
matrix:
python-version: ['3.8', '3.9', '3.10', '3.11']

services:
rabbitmq:
image: rabbitmq:latest
ports:
- 5672:5672
services:
rabbitmq:
image: rabbitmq:latest
ports:
- 5672:5672

steps:
- uses: actions/checkout@v2
steps:
- uses: actions/checkout@v2

- name: Install Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: 'pip'
cache-dependency-path: pyproject.toml
- name: Install Python ${{ matrix.python-version }}
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
cache: pip
cache-dependency-path: pyproject.toml

- name: Install system dependencies
run: sudo apt update && sudo apt install postgresql
- name: Install system dependencies
run: sudo apt update && sudo apt install postgresql

- name: Update pip and install wheel
run: pip install -U pip wheel
- name: Update pip and install wheel
run: pip install -U pip wheel

- name: Install Python package and dependencies
run: pip install -e .[tests]
- name: Install Python package and dependencies
run: pip install -e .[tests]

- name: Run pytest
env:
AIIDA_WARN_v3: true
run: pytest -sv tests
- name: Run pytest
env:
AIIDA_WARN_v3: true
run: pytest -sv tests
73 changes: 41 additions & 32 deletions .pre-commit-config.yaml
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Original file line number Diff line number Diff line change
@@ -1,36 +1,45 @@
repos:
- repo: https://github.com/pre-commit/pre-commit-hooks
rev: 'v4.2.0'
hooks:
- id: double-quote-string-fixer
- id: end-of-file-fixer
- id: fix-encoding-pragma
- id: mixed-line-ending
- id: trailing-whitespace
- repo: https://github.com/pre-commit/pre-commit-hooks
rev: v4.2.0
hooks:
- id: double-quote-string-fixer
- id: end-of-file-fixer
- id: fix-encoding-pragma
- id: mixed-line-ending
- id: trailing-whitespace

- repo: https://github.com/ikamensh/flynt/
rev: '0.76'
hooks:
- id: flynt
- repo: https://github.com/ikamensh/flynt/
rev: '0.76'
hooks:
- id: flynt

- repo: https://github.com/astral-sh/ruff-pre-commit
rev: 'v0.1.6'
hooks:
- id: ruff-format
- id: ruff
args: [--fix, --exit-non-zero-on-fix, --show-fixes]
- repo: https://github.com/macisamuele/language-formatters-pre-commit-hooks
rev: v2.11.0
hooks:
- id: pretty-format-toml
args: [--autofix]
- id: pretty-format-yaml
args: [--autofix]
exclude: tests/.*.yml

- repo: local
hooks:
- id: mypy
name: mypy
entry: mypy
args: [--config-file=pyproject.toml]
language: python
types: [python]
require_serial: true
pass_filenames: true
files: >-
(?x)^(
src/.*py|
)$
- repo: https://github.com/astral-sh/ruff-pre-commit
rev: v0.1.6
hooks:
- id: ruff-format
- id: ruff
args: [--fix, --exit-non-zero-on-fix, --show-fixes]

- repo: local
hooks:
- id: mypy
name: mypy
entry: mypy
args: [--config-file=pyproject.toml]
language: python
types: [python]
require_serial: true
pass_filenames: true
files: >-
(?x)^(
src/.*py|
)$
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