chore: towards declarative build spec

pyproject.toml

@@ -4,7 +4,9 @@ requires = [
     "wheel",
     "setuptools_scm[toml]>=3.4",
 ]
+build-backend = "setuptools.build_meta"
 
+# versioning: setuptools_scm
 [tool.setuptools_scm]
 write_to = "src/pygaps/_version.py"
 local_scheme = 'dirty-tag'
@@ -15,7 +17,7 @@ fallback_version = '3.1.0'
 convention = "numpy"
 match-dir = "src\\/.*"
 
-# formatting: isort
+# formatting: yapf
 [tool.yapf]
 based_on_style = "pep8"
 dedent_closing_brackets = true

setup.cfg

@@ -1,3 +1,89 @@
+[metadata]
+name = pygaps
+description = A framework for processing adsorption data for porous materials.
+long_description = file: README.rst
+long_description_content_type = "text/x-rst"
+keywords = adsorption, characterization, porous materials, isotherms
+author = Paul Iacomi
+author_email = [email protected]
+license = MIT license
+license_files = LICENSE
+url = https://github.com/pauliacomi/pygaps
+project_urls =
+    Documentation = https://pygaps.readthedocs.io
+    Source Code = https://github.com/pauliacomi/pygaps
+# Classifier list at https://pypi.org/pypi?%3Aaction=list_classifiers
+classifiers =
+    Development Status :: 5 - Production/Stable
+    License :: OSI Approved :: MIT License
+    Operating System :: OS Independent
+    Operating System :: Unix
+    Operating System :: POSIX
+    Operating System :: Microsoft :: Windows
+    Programming Language :: Python :: 3 :: Only
+    Programming Language :: Python :: 3.7
+    Programming Language :: Python :: 3.8
+    Programming Language :: Python :: 3.9
+    Programming Language :: Python :: Implementation :: CPython
+    Intended Audience :: Science/Research
+    Topic :: Scientific/Engineering :: Physics
+    Topic :: Scientific/Engineering :: Chemistry
+
+[options]
+package_dir=
+    =src
+packages = find:
+python_requires = >=3.7
+zip_safe = True
+include_package_data = True
+tests_require =
+    pytest
+    pytest-cov
+    coverage[toml]
+    nose
+install_requires =
+    numpy >= 1.16.5
+    scipy >= 1.6
+    pandas
+    matplotlib
+    coolprop >= 6.0
+    xlrd >= 1.1
+    xlwt >= 1.3
+    openpyxl
+    gemmi
+    requests
+# TODO remove after 3.8 is unsupported
+    importlib_resources; python_version < "3.9"
+
+[options.package_data]
+* = *.txt, *.rst
+hello = *.msg
+
+[options.entry_points]
+console_scripts =
+    pygaps = pygaps.cli:main
+
+[options.extras_require]
+dev =
+    yapf
+    isort
+    pylint
+    flake8
+    autopep8
+    pydocstyle
+    bump2version
+docs =
+    docutils >= 0.11
+    doc8
+    pando
+    restrcuredtext-lint
+    sphin
+    nbsphinx
+    sphinx_rtd_theme
+
+[options.packages.find]
+where=src
+
 [bumpversion]
 current_version = 3.1.0
 commit = True

setup.py

@@ -3,7 +3,6 @@
 import re
 from pathlib import Path
 
-from setuptools import find_packages
 from setuptools import setup
 
 
@@ -21,93 +20,4 @@ def remove_badges(text):
     return re.compile('^.. start-badges.*^.. end-badges', re.M | re.S).sub('', text)
 
 
-setup(
-    name='pygaps',
-    use_scm_version={
-        'local_scheme': 'dirty-tag',
-        'write_to': 'src/pygaps/_version.py',
-        'fallback_version': '3.1.0',
-    },
-    license='MIT license',
-    description=  # noqa: E251
-    """A framework for processing adsorption data for porous materials.""",
-    long_description=remove_badges(read('README.rst')),
-    long_description_content_type="text/x-rst",
-    author='Paul Iacomi',
-    author_email='[email protected]',
-    url='https://github.com/pauliacomi/pygaps',
-    project_urls={
-        "Documentation": 'https://pygaps.readthedocs.io',
-        "Source Code": 'https://github.com/pauliacomi/pygaps',
-    },
-    packages=find_packages('src'),
-    package_dir={'': 'src'},
-    py_modules=[path.name.suffix for path in Path('./src').glob('*.py')],
-    include_package_data=True,
-    zip_safe=True,
-    entry_points={
-        'console_scripts': [
-            'pygaps = pygaps.cli:main'
-        ]
-    },
-    classifiers=[  # Classifier list at https://pypi.org/pypi?%3Aaction=list_classifiers
-        'Development Status :: 5 - Production/Stable',
-        'License :: OSI Approved :: MIT License',
-        'Operating System :: OS Independent',
-        'Operating System :: Unix',
-        'Operating System :: POSIX',
-        'Operating System :: Microsoft :: Windows',
-        'Programming Language :: Python :: 3 :: Only',
-        'Programming Language :: Python :: 3.7',
-        'Programming Language :: Python :: 3.8',
-        'Programming Language :: Python :: 3.9',
-        'Programming Language :: Python :: Implementation :: CPython',
-        'Intended Audience :: Science/Research',
-        'Topic :: Scientific/Engineering :: Physics',
-        'Topic :: Scientific/Engineering :: Chemistry',
-    ],
-    keywords=['adsorption', 'characterization', 'porous materials'],
-    python_requires='>=3.7',
-    setup_requires=[
-        'setuptools_scm',
-        'pytest-runner',
-    ],
-    install_requires=[
-        'numpy >= 1.16.5',
-        'scipy >= 1.6',
-        'pandas',
-        'matplotlib',
-        'coolprop >= 6.0',
-        'xlrd >= 1.1',
-        'xlwt >= 1.3',
-        'openpyxl',
-        'gemmi',
-        'requests',
-        'importlib_resources; python_version<"3.9"',  # TODO remove after 3.8 is unsupported
-    ],
-    tests_require=[
-        'pytest',
-        'pytest-cov',
-        'coverage[toml]',
-        'nose',
-    ],
-    extras_require={
-        'dev': [
-            'isort',
-            'pylint',
-            'flake8',
-            'autopep8',
-            'pydocstyle',
-            'bump2version',
-        ],
-        'docs': [
-            'docutils >= 0.11'
-            'doc8',
-            'pandoc',
-            'restructuredtext-lint',
-            'sphinx',
-            'nbsphinx',
-            'sphinx_rtd_theme',
-        ],
-    },
-)
+setup(long_description=remove_badges(read('README.rst')))