👌 Refresh template plugin (#88)

- Move to flit for PEP 621 compliant build (see also aiidateam/aiida-core#5312)
- Remove `setup.py`,` setup.json`, `MANIFEST.in`, `check_version.py`, and `.coveragerc`
- Set `requires-python = ">=3.7"`
- Move from `yapf` to `black` for code formatting
- Add `isort` and `pyupgrade` pre-commit hooks
- Move documentation theme from `sphinx-rtd-theme` to `furo`
- Add `tox` configuration (in `pyproject.toml`)

Note the setuptools `reentry_register` hook is no longer possible, although reentry is anyway removed in AiiDA v2.

.gitignore

@@ -5,3 +5,6 @@
 .DS_Store
 aiida-diff/
 .pytest_cache/
+aiida-ck/
+.tox/
+.vscode/

README.md

@@ -11,7 +11,7 @@ See the [`support/aiida-0.x` branch](https://github.com/aiidateam/aiida-plugin-c
 
 ## Usage instructions
 
-    pip install cookiecutter yapf
+    pip install cookiecutter black
     cookiecutter https://github.com/aiidateam/aiida-plugin-cutter.git
 
 ![Demo](https://image.ibb.co/ct6rL8/aiida_plugin_cutter.gif "The fastest way to kickstart an AiiDA plugin.")

cookiecutter.json

@@ -9,5 +9,5 @@
   "version": "0.1.0a0",
   "author": "The AiiDA Team",
   "aiida_min_version": "1.1.0",
-  "year": "2020"
+  "year": "2022"
 }

hooks/post_gen_project.sh

@@ -1,9 +1,9 @@
 #!/bin/bash
-if [ -x "$(command -v yapf)" ]; then
-    echo "Running yapf on {{ cookiecutter.plugin_name }}"
-    yapf -i -r '../{{ cookiecutter.plugin_name }}/'
+if [ -x "$(command -v black)" ]; then
+    echo "Running black on {{ cookiecutter.plugin_name }}"
+    black '../{{ cookiecutter.plugin_name }}/'
 else
-    echo "yapf not found. 'pip install yapf' to automatically \
+    echo "black not found. 'pip install black' to automatically \
           run formatter on {{ cookiecutter.plugin_name }}"
 fi
 

requirements.txt

@@ -1,2 +1,2 @@
 cookiecutter
-yapf==0.30.0
+black==21.12b0

tox.ini

@@ -0,0 +1,23 @@
+[tox]
+envlist = build
+
+[testenv]
+basepython = python3
+skip_install = true
+
+[testenv:build]
+description = Build a package from the template and install
+deps = -rrequirements.txt
+setenv =
+    PLUGIN_NAME = aiida-ck
+whitelist_externals =
+    cd
+    git
+    rm
+commands =
+    rm -rf {env:PLUGIN_NAME}
+    cookiecutter --no-input . plugin_name={env:PLUGIN_NAME}
+    git init -b main {env:PLUGIN_NAME}
+    cd {env:PLUGIN_NAME} && git add -A
+    pip install -e {env:PLUGIN_NAME}[testing,docs,pre-commit]
+    reentry scan -r aiida

{{cookiecutter.plugin_name}}/.github/workflows/ci.yml

@@ -9,7 +9,7 @@ jobs:
     timeout-minutes: 30
     strategy:
       matrix:
-        python-version: [3.8]
+        python-version: ["3.8"]
         backend: ['django']
 
     services:
@@ -50,7 +50,7 @@ jobs:
         AIIDA_TEST_BACKEND: ${{ '{{ matrix.backend }}' }}
         # show timings of tests
         PYTEST_ADDOPTS: "--durations=0"
-      run: py.test --cov {{cookiecutter.module_name}} --cov-append .
+      run: pytest --cov {{cookiecutter.module_name}} --cov-append .
 
   docs:
     runs-on: ubuntu-latest
@@ -60,7 +60,7 @@ jobs:
     - name: Set up Python 3.8
       uses: actions/setup-python@v2
       with:
-        python-version: 3.8
+        python-version: "3.8"
     - name: Install python dependencies
       run: |
         pip install --upgrade pip
@@ -77,7 +77,7 @@ jobs:
     - name: Set up Python 3.8
       uses: actions/setup-python@v2
       with:
-        python-version: 3.8
+        python-version: "3.8"
     - name: Install python dependencies
       run: |
         pip install --upgrade pip

{{cookiecutter.plugin_name}}/.github/workflows/publish-on-pypi.yml

@@ -18,23 +18,16 @@ jobs:
     - name: Set up Python 3.8
       uses: actions/setup-python@v1
       with:
-        python-version: 3.8
+        python-version: '3.8'
 
-    - name: Upgrade setuptools and install package
+    - name: Install flit
       run: |
-        python -m pip install --upgrade pip setuptools
-        python -m pip install -e .
+        python -m pip install --upgrade pip
+        python -m pip install flit~=3.4
 
-    - name: Assert package version
+    - name: Build and publish
+      run: |
+        flit publish
       env:
-        TAG_VERSION: ${{ '{{ github.ref }}' }}
-      run: python ./.github/check_version.py
-
-    - name: Build source distribution
-      run: python ./setup.py sdist
-
-    - name: Publish package to PyPI
-      uses: pypa/gh-action-pypi-publish@master
-      with:
-        user: __token__
-        password: ${{ '{{ secrets.pypi_token }}' }}
+        FLIT_USERNAME: __token__
+        FLIT_PASSWORD:  ${{ '{{ secrets.pypi_token }}' }}

{{cookiecutter.plugin_name}}/.pre-commit-config.yaml

@@ -2,22 +2,28 @@
 # pre-commit install
 repos:
 - repo: https://github.com/pre-commit/pre-commit-hooks
-  rev: v3.4.0
+  rev: v4.1.0
   hooks:
-    - id: double-quote-string-fixer
     - id: end-of-file-fixer
-    - id: fix-encoding-pragma
     - id: mixed-line-ending
     - id: trailing-whitespace
     - id: check-json
 
-# yapf = yet another python formatter
-- repo: https://github.com/pre-commit/mirrors-yapf
-  rev: v0.30.0
+- repo: https://github.com/asottile/pyupgrade
+  rev: v2.31.0
   hooks:
-  - id: yapf
-    name: yapf
-    args: ["-i"]
+  - id: pyupgrade
+    args: ["--py37-plus"]
+
+- repo: https://github.com/PyCQA/isort
+  rev: 5.10.1
+  hooks:
+    - id: isort
+
+- repo: https://github.com/psf/black
+  rev: 21.12b0
+  hooks:
+    - id: black
 
 - repo: local
   hooks:
@@ -31,9 +37,3 @@ repos:
           docs/.*|
       )$
     entry: pylint
-
-  - id: version-number
-    name: Check version numbers
-    entry: python ./.github/check_version.py
-    language: system
-    files: '^(setup.json)|({{cookiecutter.module_name}}/__init__.py)'

{{cookiecutter.plugin_name}}/.readthedocs.yml

@@ -1,7 +1,7 @@
 version: 2
 
 python:
-  version: 3.8
+  version: "3.8"
   install:
     - method: pip
       path: .

{{cookiecutter.plugin_name}}/README.md

@@ -1,7 +1,7 @@
-[![Build Status](https://github.com/{{ cookiecutter.github_user }}/{{ cookiecutter.repo_name }}/workflows/ci/badge.svg?branch=master)](https://github.com/{{ cookiecutter.github_user }}/{{ cookiecutter.repo_name }}/actions)
-[![Coverage Status](https://coveralls.io/repos/github/{{ cookiecutter.github_user}}/{{ cookiecutter.repo_name }}/badge.svg?branch=master)](https://coveralls.io/github/{{ cookiecutter.github_user }}/{{ cookiecutter.repo_name }}?branch=master)
-[![Docs status](https://readthedocs.org/projects/{{ cookiecutter.plugin_name }}/badge)](http://{{ cookiecutter.plugin_name }}.readthedocs.io/)
-[![PyPI version](https://badge.fury.io/py/{{ cookiecutter.plugin_name }}.svg)](https://badge.fury.io/py/{{ cookiecutter.plugin_name }})
+[![Build Status][ci-badge]][ci-link]
+[![Coverage Status][cov-badge]][cov-link]
+[![Docs status][docs-badge]][docs-link]
+[![PyPI version][pypi-badge]][pypi-link]
 
 # {{ cookiecutter.plugin_name }}
 
@@ -25,22 +25,16 @@ intended to help developers get started with their AiiDA plugins.
 * [`docs/`](docs/): A documentation template ready for publication on [Read the Docs](http://aiida-diff.readthedocs.io/en/latest/)
 * [`examples/`](examples/): An example of how to submit a calculation using this plugin
 * [`tests/`](tests/): Basic regression tests using the [pytest](https://docs.pytest.org/en/latest/) framework (submitting a calculation, ...). Install `pip install -e .[testing]` and run `pytest`.
-* [`.coveragerc`](.coveragerc): Configuration of [coverage.py](https://coverage.readthedocs.io/en/latest) tool reporting which lines of your plugin are covered by tests
 * [`.gitignore`](.gitignore): Telling git which files to ignore
 * [`.pre-commit-config.yaml`](.pre-commit-config.yaml): Configuration of [pre-commit hooks](https://pre-commit.com/) that sanitize coding style and check for syntax errors. Enable via `pip install -e .[pre-commit] && pre-commit install`
 * [`.readthedocs.yml`](.readthedocs.yml): Configuration of documentation build for [Read the Docs](https://readthedocs.org/)
 * [`LICENSE`](LICENSE): License for your plugin
-* [`MANIFEST.in`](MANIFEST.in): Configure non-Python files to be included for publication on [PyPI](https://pypi.org/)
 * [`README.md`](README.md): This file
 * [`conftest.py`](conftest.py): Configuration of fixtures for [pytest](https://docs.pytest.org/en/latest/)
-* [`pytest.ini`](pytest.ini): Configuration of [pytest](https://docs.pytest.org/en/latest/) test discovery
-* [`setup.json`](setup.json): Plugin metadata for registration on [PyPI](https://pypi.org/) and the [AiiDA plugin registry](https://aiidateam.github.io/aiida-registry/) (including entry points)
-* [`setup.py`](setup.py): Installation script for pip / [PyPI](https://pypi.org/)
-
+* [`pyproject.toml`](setup.json): Python package metadata for registration on [PyPI](https://pypi.org/) and the [AiiDA plugin registry](https://aiidateam.github.io/aiida-registry/) (including entry points)
 
 See also the following video sequences from the 2019-05 AiiDA tutorial:
 
- * [aiida-diff setup.json](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=240s)
  * [run aiida-diff example calculation](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=403s)
  * [aiida-diff CalcJob plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=685s)
  * [aiida-diff Parser plugin](https://www.youtube.com/watch?v=2CxiuiA1uVs&t=936s)
@@ -109,6 +103,7 @@ verdi data {{cookiecutter.entry_point_prefix}} export <PK>
 ```shell
 git clone https://github.com/{{ cookiecutter.github_user }}/{{ cookiecutter.repo_name}} .
 cd {{ cookiecutter.repo_name }}
+pip install --upgrade pip
 pip install -e .[pre-commit,testing]  # install extra dependencies
 pre-commit install  # install pre-commit hooks
 pytest -v  # discover and run all tests
@@ -122,3 +117,13 @@ MIT{%if cookiecutter.contact_email!=""%}
 ## Contact
 
 {{ cookiecutter.contact_email }}{%endif%}
+
+
+[ci-badge]: https://github.com/{{ cookiecutter.github_user }}/{{ cookiecutter.repo_name }}/workflows/ci/badge.svg?branch=master
+[ci-link]: https://github.com/{{ cookiecutter.github_user }}/{{ cookiecutter.repo_name }}/actions
+[cov-badge]: https://coveralls.io/repos/github/{{ cookiecutter.github_user}}/{{ cookiecutter.repo_name }}/badge.svg?branch=master
+[cov-link]: https://coveralls.io/github/{{ cookiecutter.github_user }}/{{ cookiecutter.repo_name }}?branch=master
+[docs-badge]: https://readthedocs.org/projects/{{ cookiecutter.plugin_name }}/badge
+[docs-link]: http://{{ cookiecutter.plugin_name }}.readthedocs.io/
+[pypi-badge]: https://badge.fury.io/py/{{ cookiecutter.plugin_name }}.svg
+[pypi-link]: https://badge.fury.io/py/{{ cookiecutter.plugin_name }}

{{cookiecutter.plugin_name}}/conftest.py

@@ -1,17 +1,15 @@
-# -*- coding: utf-8 -*-
 """pytest fixtures for simplified testing."""
-from __future__ import absolute_import
 import pytest
-pytest_plugins = ['aiida.manage.tests.pytest_fixtures']
 
+pytest_plugins = ["aiida.manage.tests.pytest_fixtures"]
 
-@pytest.fixture(scope='function', autouse=True)
+
+@pytest.fixture(scope="function", autouse=True)
 def clear_database_auto(clear_database):  # pylint: disable=unused-argument 
    """Automatically clear database in between tests."""
 
 
 @pytest.fixture(scope='function')
 def {{cookiecutter.entry_point_prefix}}_code(aiida_local_code_factory):
-    """Get a {{cookiecutter.entry_point_prefix}} code.
-    """
-    return aiida_local_code_factory(executable='diff', entry_point='{{cookiecutter.entry_point_prefix}}')
+    """Get a {{cookiecutter.entry_point_prefix}} code."""
+    return aiida_local_code_factory(executable="diff", entry_point="{{cookiecutter.entry_point_prefix}}")

{{cookiecutter.plugin_name}}/docs/Makefile

@@ -24,7 +24,7 @@ I18NSPHINXOPTS  = $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) source
 ## Runs nit-picky and converting warnings into errors to
 ## make sure the documentation is properly written
 customdefault:
-	$(SPHINXBUILD) -b html -nW $(ALLSPHINXOPTS) $(BUILDDIR)/html
+	$(SPHINXBUILD) -b html -nW --keep-going $(ALLSPHINXOPTS) $(BUILDDIR)/html
 
 all: html