setup: use pyproject.toml

.readthedocs.yml

@@ -0,0 +1,14 @@
+version: 2
+
+sphinx:
+  configuration: docs/source/conf.py
+
+formats: all
+
+python:
+  version: 3.7
+  install:
+    - method: pip
+      path: .
+      extra_requirements:
+        - doc

MANIFEST.in

@@ -1,7 +1,6 @@
-include MANIFEST.in
-include setup.py
-recursive-include ogs5py *.py
-recursive-include tests *.py
-recursive-include docs/source *
-include docs/Makefile docs/requirements.txt
-include LICENSE
+prune *
+graft ogs5py
+graft tests
+
+include LICENSE README.md pyproject.toml setup.cfg
+global-exclude __pycache__ *.py[cod] .*

docs/source/conf.py

@@ -21,6 +21,7 @@
 # pip install sphinx_rtd_theme
 # is needed in order to build the documentation
 import datetime
+
 from ogs5py import __version__ as ver
 
 

pyproject.toml

@@ -0,0 +1,63 @@
+[build-system]
+requires = [
+    "setuptools>=42",
+    "wheel",
+    "setuptools_scm[toml]>=3.5",
+]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools_scm]
+write_to = "ogs5py/_version.py"
+write_to_template = "__version__ = '{version}'"
+local_scheme = "no-local-version"
+fallback_version = "0.0.0.dev0"
+
+[tool.black]
+exclude = "_version.py"
+line-length = 79
+target-version = [
+    "py36",
+    "py37",
+    "py38",
+]
+
+[tool.coverage]
+    [tool.coverage.run]
+    source = ["ogs5py"]
+    omit = [
+        "*docs*",
+        "*examples*",
+        "*tests*",
+    ]
+
+    [tool.coverage.report]
+    exclude_lines = [
+        "pragma: no cover",
+        "if __name__ == '__main__':",
+        "def __repr__",
+        "def __str__",
+    ]
+
+[tool.pylint]
+    [tool.pylint.master]
+    extension-pkg-whitelist = [
+        "numpy",
+        "scipy",
+    ]
+    ignore = "_version.py"
+
+    [tool.pylint.message_control]
+    disable = [
+        "R0801",
+    ]
+
+    [tool.pylint.reports]
+    output-format = "colorized"
+
+    [tool.pylint.design]
+    max-args = 20
+    max-locals = 50
+    max-branches = 30
+    max-statements = 80
+    max-attributes = 25
+    max-public-methods = 75

setup.cfg

@@ -1,3 +1,77 @@
 [metadata]
-description-file = README.md
+name = ogs5py
+description = ogs5py: a python API for OpenGeoSys5
+long_description = file: README.md
+long_description_content_type = text/markdown
+url = https://github.com/GeoStat-Framework/ogs5py
+author = Sebastian Müller, Falk Heße
+author_email = [email protected]
+maintainer = Sebastian Müller
+maintainer_email = [email protected]
+license = MIT
 license_file = LICENSE
+platforms = any
+classifiers =
+    Development Status :: 5 - Production/Stable
+    Intended Audience :: Developers
+    Intended Audience :: End Users/Desktop
+    Intended Audience :: Science/Research
+    Intended Audience :: Education
+    License :: OSI Approved :: MIT License
+    Natural Language :: English
+    Operating System :: Unix
+    Operating System :: Microsoft
+    Operating System :: MacOS
+    Programming Language :: Python
+    Programming Language :: Python :: 3
+    Programming Language :: Python :: 3 :: Only
+    Programming Language :: Python :: 3.6
+    Programming Language :: Python :: 3.7
+    Programming Language :: Python :: 3.8
+    Programming Language :: Python :: 3.9
+    Programming Language :: Python :: 3.10
+    Topic :: Scientific/Engineering
+    Topic :: Scientific/Engineering :: GIS
+    Topic :: Scientific/Engineering :: Hydrology
+    Topic :: Scientific/Engineering :: Mathematics
+    Topic :: Scientific/Engineering :: Physics
+    Topic :: Utilities
+project_urls =
+    Homepage = https://geostat-framework.org/#ogs5py
+    Documentation = https://ogs5py.readthedocs.io
+    Source = https://github.com/GeoStat-Framework/ogs5py
+    Tracker = https://github.com/GeoStat-Framework/ogs5py/issues
+    Changelog = https://github.com/GeoStat-Framework/ogs5py/blob/main/CHANGELOG.md
+    Conda-Forge = https://anaconda.org/conda-forge/ogs5py
+
+[options]
+packages = find:
+install_requires =
+    numpy>=1.14.5
+    pandas>=0.23.2
+    meshio>=4.0.3, <5.0
+    lxml~=4.0
+    pexpect~=4.0
+    vtk>=8.1
+python_requires = >=3.6
+zip_safe = False
+
+[options.packages.find]
+exclude =
+    tests*
+    docs*
+
+[options.extras_require]
+doc =
+    m2r2>=0.2.8
+    matplotlib>=3
+    numpydoc>=1.1
+    sphinx>=4
+    sphinx-gallery>=0.8
+    sphinx-rtd-theme>=1
+show =
+    mayavi
+gmsh =
+    pygmsh
+test =
+    pytest-cov>=3