Devops: Move package configuration entirely to pyproject.toml

The `pyproject.toml` approach for package metadata is now the standard
approach in the community and widely supported. The `setup.cfg` is now
obsolete as well as the `setup.py` shim. The build backend is switched
to flit which is used by most other packages in the `aiidateam`
organization.

.github/workflows/ci.yml

@@ -19,7 +19,7 @@ jobs:
 
     - name: Install python dependencies
       run: |
-        pip install .[pre_commit,testing]
+        pip install .[dev]
         pip freeze
 
     - name: Run pre-commit
@@ -52,7 +52,7 @@ jobs:
 
     - name: Install pgsu
       run: |
-        pip install -e .[testing]
+        pip install -e .[dev]
         pip freeze
 
     - name: Run test suite
@@ -95,7 +95,7 @@ jobs:
 
     - name: Install pgsu
       run: |
-        pip install -e .[testing]
+        pip install -e .[dev]
         pip freeze
 
     - name: Run test suite
@@ -144,7 +144,7 @@ jobs:
 
     - name: Install pgsu
       run: |
-        pip install -e .[testing]
+        pip install -e .[dev]
         pip freeze
 
     - name: Run test suite
@@ -187,7 +187,7 @@ jobs:
       #
       #    - name: Install pgsu
       #      run: |
-      #        pip install -e .[testing]
+      #        pip install -e .[dev]
       #        pip freeze
       #
       #    # note: I tested this locally with *only* the homebrew postgres server running and it worked.
@@ -233,7 +233,7 @@ jobs:
 
     - name: Install pgsu
       run: |
-        pip install -e .[testing]
+        pip install -e .[dev]
         pip freeze
 
     - name: Run test suite

README.md

@@ -61,6 +61,6 @@ Executing query: SELECT usename FROM pg_user
 
 Run the tests as follows:
 ```bash
-pip install -e .[testing]
+pip install -e .[dev]
 pytest
 ```

pgsu/__init__.py

@@ -1,7 +1,6 @@
 # -*- coding: utf-8 -*-
-"""Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands.
-
-"""
+"""Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands."""
+__version__ = '0.2.4'
 
 import logging
 import traceback

pyproject.toml

@@ -1,6 +1,68 @@
 [build-system]
-requires = ["setuptools>=46.4.0", "wheel"]
-build-backend = "setuptools.build_meta"
+build-backend = 'flit_core.buildapi'
+requires = ['flit_core>=3.4,<4']
+
+[project]
+authors = [
+    {name = 'AiiDA Team', email = 'aiidateam@gmail.com'}
+]
+classifiers = [
+    'License :: OSI Approved :: MIT License',
+    'Operating System :: MacOS :: MacOS X',
+    'Operating System :: Microsoft :: Windows',
+    'Operating System :: POSIX :: Linux',
+    'Programming Language :: Python',
+    'Programming Language :: Python :: 3',
+    'Programming Language :: Python :: 3 :: Only',
+    'Programming Language :: Python :: 3.7',
+    'Programming Language :: Python :: 3.8',
+    'Programming Language :: Python :: 3.9',
+    'Programming Language :: Python :: 3.10',
+    'Programming Language :: Python :: 3.11',
+    'Programming Language :: Python :: Implementation :: CPython',
+]
+dependencies = [
+    'click',
+    'psycopg[binary]>=3.0'
+]
+dynamic = ['description', 'version']
+keywords = ['aiida', 'workflows']
+license = {file = 'LICENSE'}
+name = 'pgsu'
+readme = 'README.md'
+requires-python = '>=3.7'
+
+[project.optional-dependencies]
+dev = [
+    'pre-commit~=2.2',
+    'pylint~=2.5.0',
+    'pgtest>=1.3.1',
+    'pytest',
+    'pytest-cov'
+]
+
+[project.scripts]
+pgsu = 'pgsu.cli:run'
+
+[project.urls]
+homepage = 'https://github.com/aiidateam/pgsu'
+source = 'https://github.com/aiidateam/pgsu'
+tracker = 'https://github.com/aiidateam/pgsu/issues'
+
+[tool.flit.module]
+name = 'pgsu'
+
+[tool.flit.sdist]
+exclude = [
+    '.github/',
+    'tests/',
+    '.coverage',
+    '.gitignore',
+    '.pre-commit-config.yaml'
+]
+
+[tool.coverage.run]
+parallel = true
 
 [tool.pylint.format]
 max-line-length = 120

tox.ini

@@ -12,5 +12,5 @@ usedevelop = true
 [testenv:py{37,38,39}]
 description = Run unit tests with this Python version
 extras =
-    testing
+    dev
 commands = pytest {posargs}