Devops: adopt PEP 621 and move build spec to pyproject.toml

Following PEP 621 it is now possible to fully define the build procedure of your package in `pyproject.toml`. Since this PEP is now well supported, and for example `pip` can use it, we migrate to it since it provides a bunch of benefits: * No longer need the deprecated `setup.py` to install the package. * Version number is now dynamically fetched from the package. * The `MANIFEST.in` is no longer necessary. The `flit` build tool will automatically include anything. The `pyproject.toml` has a tool section for `flit` that excludes the `tests` and `docs` folders. * Move configuration of pre-commit tools to `pyproject.toml`.
aiidateam · Apr 8, 2022 · d293943 · d293943
1 parent c500b99
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diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
@@ -7,19 +7,25 @@ jobs:
         runs-on: ubuntu-latest
 
         steps:
-            - uses: actions/checkout@v2
-            - name: Set up Python 3.8
-              uses: actions/setup-python@v2
-              with:
-                  python-version: 3.8
-            - uses: pre-commit/[email protected]
+        -   uses: actions/checkout@v2
+
+        -   name: Set up Python 3.8
+            uses: actions/setup-python@v2
+            with:
+                python-version: 3.8
+
+        -   name: Install Python dependencies
+            run: pip install -e .[pre-commit]
+
+        -   name: Run pre-commit
+            run: pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
 
     tests:
         runs-on: ubuntu-latest
 
         strategy:
             matrix:
-                python-version: [3.7, 3.8, 3.9]
+                python-version: ['3.7', '3.8', '3.9']
 
         services:
             rabbitmq:
@@ -28,25 +34,25 @@ jobs:
                     - 5672:5672
 
         steps:
-            - uses: actions/checkout@v2
+        -   uses: actions/checkout@v2
 
-            - name: Set up Python ${{ matrix.python-version }}
-              uses: actions/setup-python@v2
-              with:
-                  python-version: ${{ matrix.python-version }}
+        -   name: Set up Python ${{ matrix.python-version }}
+            uses: actions/setup-python@v2
+            with:
+                python-version: ${{ matrix.python-version }}
 
-            - name: Install python dependencies
-              run: pip install -e .[tests]
+        -   name: Install python dependencies
+            run: pip install -e .[tests]
 
-            - name: Run pytest
-              run: pytest -sv --cov=plumpy test
+        -   name: Run pytest
+            run: pytest -sv --cov=plumpy test
 
-            - name: Create xml coverage
-              run: coverage xml
+        -   name: Create xml coverage
+            run: coverage xml
 
-            - name: Upload coverage to Codecov
-              if: github.repository == 'aiidateam/plumpy'
-              uses: codecov/codecov-action@v1
-              with:
-                  file: ./coverage.xml
-                  name: plumpy
+        -   name: Upload coverage to Codecov
+            if: github.repository == 'aiidateam/plumpy'
+            uses: codecov/codecov-action@v1
+            with:
+                file: ./coverage.xml
+                name: plumpy
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -1,61 +1,41 @@
 repos:
-    - repo: https://github.com/pre-commit/pre-commit-hooks
-      rev: v2.5.0
-      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: v2.5.0
+    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/mgedmin/check-manifest
-      rev: "0.44"
-      hooks:
-          - id: check-manifest
+-   repo: https://github.com/pre-commit/mirrors-yapf
+    rev: v0.32.0
+    hooks:
+    -   id: yapf
+        name: yapf
+        types: [python]
+        args: ['-i']
+        additional_dependencies: ['toml']
 
-    - repo: https://github.com/pre-commit/mirrors-yapf
-      rev: v0.30.0
-      hooks:
-          - id: yapf
-            name: yapf
-            types: [python]
-            args: ["-i"]
 
-    - repo: https://github.com/PyCQA/pylint
-      rev: pylint-2.5.2
-      hooks:
-          - id: pylint
-            additional_dependencies: [
-                "pyyaml~=5.4", "nest_asyncio~=1.4.0", "aio-pika~=6.6",
-                "aiocontextvars~=0.2.2; python_version<'3.7'", "kiwipy[rmq]~=0.7.4"
-            ]
-            args:
-                [
-                    "--max-line-length=120",
-                    "--disable=import-outside-toplevel",
-                    "--disable=missing-docstring",
-                    "--disable=bad-continuation",
-                    "--disable=global-statement",
-                    "--disable=too-few-public-methods",
-                    "--disable=inconsistent-return-statements",
-                    "--disable=locally-disabled",
-                    "--disable=too-many-ancestors",
-                    "--disable=too-many-arguments",
-                    "--disable=too-many-instance-attributes",
-                ]
-            exclude: >
-                (?x)^(
-                    docs/source/conf.py|
-                    test/.*|
-                )$
+-   repo: https://github.com/pre-commit/mirrors-mypy
+    rev: v0.790
+    hooks:
+    -   id: mypy
+        args: [--config-file=tox.ini]
+        additional_dependencies: ['aio_pika~=6.6']
+        files: >
+            (?x)^(
+                plumpy/.*py|
+            )$
 
-    - repo: https://github.com/pre-commit/mirrors-mypy
-      rev: v0.790
-      hooks:
-          - id: mypy
-            args: [--config-file=tox.ini]
-            additional_dependencies: ["aio_pika~=6.6"]
-            files: >
-                (?x)^(
-                    plumpy/.*py|
-                )$
+-   repo: https://github.com/PyCQA/pylint
+    rev: v2.12.2
+    hooks:
+    -   id: pylint
+        language: system
+        exclude: >
+            (?x)^(
+                docs/source/conf.py|
+                test/.*|
+            )$
diff --git a/.style.yapf b/.style.yapf
diff --git a/MANIFEST.in b/MANIFEST.in
diff --git a/plumpy/__init__.py b/plumpy/__init__.py
@@ -1,6 +1,8 @@
 # -*- coding: utf-8 -*-
 # pylint: disable=undefined-variable
-# type: ignore
+# type: ignore[name-defined]
+__version__ = '0.20.0'
+
 import logging
 
 from .loaders import *
@@ -16,12 +18,11 @@
 from .process_listener import *
 from .mixins import *
 from .utils import *
-from .version import *
 from .workchains import *
 
 __all__ = (
     events.__all__ + exceptions.__all__ + processes.__all__ + utils.__all__ + futures.__all__ + mixins.__all__ +
-    persistence.__all__ + communications.__all__ + process_comms.__all__ + version.__all__ + process_listener.__all__ +
+    persistence.__all__ + communications.__all__ + process_comms.__all__ + process_listener.__all__ +
     workchains.__all__ + loaders.__all__ + ports.__all__ + process_states.__all__
 )
 

diff --git a/plumpy/ports.py b/plumpy/ports.py
@@ -555,7 +555,7 @@ def absorb(
             if isinstance(port, PortNamespace):
 
                 # If the name does not appear at the start of any of the include rules we continue:
-                if include and not any([rule.startswith(port_name) for rule in include]):
+                if include and not any(rule.startswith(port_name) for rule in include):
                     continue
 
                 # Determine the sub exclude and include rules for this specific namespace
@@ -613,8 +613,8 @@ def validate(  # pylint: disable=arguments-differ
         :param port_values: an arbitrarily nested dictionary of parsed port values
         :param breadcrumbs: a tuple of the path to having reached this point in validation
         :return: None or tuple containing 0: error string 1: tuple of breadcrumb strings to where the validation failed
-
         """
+        # pylint: disable=arguments-renamed
         breadcrumbs_local = (*breadcrumbs, self.name)
         message: Optional[str]
 

diff --git a/plumpy/utils.py b/plumpy/utils.py
@@ -25,7 +25,7 @@
 _LOGGER = logging.getLogger(__name__)
 
 SAVED_STATE_TYPE = MutableMapping[str, Any]  # pylint: disable=invalid-name
-PID_TYPE = Hashable
+PID_TYPE = Hashable  # pylint: disable=invalid-name
 
 
 class EventHelper:

diff --git a/plumpy/version.py b/plumpy/version.py
diff --git a/pyproject.toml b/pyproject.toml
@@ -0,0 +1,111 @@
+[build-system]
+requires = ['flit_core >=3.4,<4']
+build-backend = 'flit_core.buildapi'
+
+[project]
+name = 'plumpy'
+dynamic = ['version']
+description = 'A Python workflow library.'
+authors = [
+    {name = 'Martin Uhrin', email = '[email protected]'},
+    {name = 'Sebastiaan Huber'},
+    {name = 'Jason Yu'},
+    {name = 'Leopold Talirz'},
+    {name = 'Dominik Gresch'},
+]
+readme = 'README.md'
+license = {file = 'LICENSE'}
+classifiers = [
+    'Development Status :: 5 - Production/Stable',
+    'License :: OSI Approved :: MIT License',
+    'License :: OSI Approved :: GNU General Public License v3 (GPLv3)',
+    'Programming Language :: Python',
+    'Programming Language :: Python :: 3.7',
+    'Programming Language :: Python :: 3.8',
+    'Programming Language :: Python :: 3.9',
+]
+keywords = ['workflow', 'multithreaded', 'rabbitmq']
+requires-python = '>=3.7'
+dependencies = [
+    'aio-pika~=6.6',
+    'kiwipy[rmq]~=0.7.4',
+    'nest_asyncio~=1.5',
+    'pyyaml~=5.4',
+]
+
+[project.urls]
+Home = 'https://github.com/aiidateam/plumpy'
+Source = 'https://github.com/aiidateam/plumpy'
+Documentation = 'https://plumpy.readthedocs.io'
+
+[project.optional-dependencies]
+docs = [
+    'ipython~=7.0',
+    'jinja2==2.11.3',
+    'markupsafe==2.0.1',
+    'myst-nb~=0.11.0',
+    'sphinx~=3.2.0',
+    'sphinx-book-theme~=0.0.39',
+]
+pre-commit = [
+    'mypy==0.790',
+    'pre-commit~=2.2',
+    'pylint==2.12.2',
+]
+tests = [
+    'ipykernel==6.12.1',
+    'pytest==6.2.5',
+    'pytest-asyncio==0.16.0',
+    'pytest-cov==3.0.0',
+    'pytest-notebook==0.7.0',
+    'shortuuid==1.0.8',
+]
+
+[tool.flit.module]
+name = 'plumpy'
+
+[tool.flit.sdist]
+exclude = [
+    'docs/',
+    'examples/',
+    'test/',
+]
+
+[tool.pylint.format]
+max-line-length = 120
+
+[tool.pylint.messages_control]
+disable = [
+    'bad-continuation',
+    'consider-using-f-string',
+    'duplicate-code',
+    'global-statement',
+    'import-outside-toplevel',
+    'inconsistent-return-statements',
+    'locally-disabled',
+    'missing-docstring',
+    'protected-access',
+    'raise-missing-from',
+    'too-few-public-methods',
+    'too-many-ancestors',
+    'too-many-arguments',
+    'too-many-instance-attributes',
+]
+
+[tool.pytest.ini_options]
+minversion = '6.0'
+testpaths = [
+    'test',
+]
+filterwarnings = [
+    'ignore::DeprecationWarning:frozendict:',
+]
+
+[tool.yapf]
+align_closing_bracket_with_visual_indent = true
+based_on_style = 'google'
+coalesce_brackets = true
+column_limit = 120
+dedent_closing_brackets = true
+indent_dictionary_value = false
+split_arguments_when_comma_terminated = true