Build: update setuptools config and CI

.github/workflows/main.yml

@@ -21,6 +21,8 @@ jobs:
 
     steps:
       - uses: actions/checkout@v2
+        with:
+          fetch-depth: '0'
 
       - name: Set up Python 3.8
         uses: actions/setup-python@v2
@@ -31,15 +33,15 @@ jobs:
         run: |
           python -m pip install --upgrade pip
           pip install black 'pylint<3' 'isort[colors]<6'
-          pip install --editable .
+          pip install -v --editable .
 
       - name: black check
         run: |
           python -m black --check --diff --color .
 
       - name: pylint check
         run: |
-          python -m pylint gstools/
+          python -m pylint src/gstools/
 
       - name: isort check
         run: |
@@ -66,7 +68,7 @@ jobs:
           fetch-depth: '0'
 
       - name: Build wheels
-        uses: pypa/cibuildwheel@v2.3.1
+        uses: pypa/cibuildwheel@v2.6.0
         env:
           CIBW_ARCHS: ${{ matrix.cfg.arch }}
         with:
@@ -83,7 +85,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest, windows-latest, macos-latest]
-        python-version: ['3.6', '3.7', '3.8', '3.9', '3.10']
+        python-version: ['3.7', '3.8', '3.9', '3.10']
 
     steps:
       - uses: actions/checkout@v2
@@ -101,7 +103,7 @@ jobs:
         run: |
           python -m pip install --upgrade pip
           pip install build coveralls>=3.0.0
-          pip install --editable .[test]
+          pip install -v --editable .[test]
 
       - name: Run tests
         env:

.gitignore

@@ -112,7 +112,7 @@ info/
 *.cpp
 
 # generated version file
-gstools/_version.py
+src/gstools/_version.py
 
 # generated docs
 docs/source/examples/

MANIFEST.in

@@ -1,7 +1,4 @@
-prune *
-graft tests
-recursive-include gstools *.py *.pyx
-recursive-exclude gstools *.c *.cpp
-include LICENSE README.md pyproject.toml setup.py setup.cfg
-exclude CHANGELOG.md CONTRIBUTING.md AUTHORS.md
-global-exclude __pycache__ *.py[cod] .*
+prune **
+recursive-include tests *.py
+recursive-include src/gstools *.py *.pyx
+include AUTHORS.md LICENSE README.md pyproject.toml setup.py

README.md

@@ -350,7 +350,7 @@ in memory for immediate 3D plotting in Python.
 - [hankel >= 1.0.0](https://github.com/steven-murray/hankel)
 - [emcee >= 3.0.0](https://github.com/dfm/emcee)
 - [pyevtk >= 1.1.1](https://github.com/pyscience-projects/pyevtk)
-- [meshio >= 4.0.0](https://github.com/nschloe/meshio)
+- [meshio >= 5.1.0](https://github.com/nschloe/meshio)
 
 ### Optional
 

docs/source/index.rst

@@ -137,7 +137,7 @@ You can cite the Zenodo code publication of GSTools by:
 
     Sebastian Müller & Lennart Schüler. GeoStat-Framework/GSTools. Zenodo. https://doi.org/10.5281/zenodo.1313628
 
-If you want to cite a specific version, have a look at the `Zenodo site <https://doi.org/10.5281/zenodo.1313628)>`__.
+If you want to cite a specific version, have a look at the `Zenodo site <https://doi.org/10.5281/zenodo.1313628>`__.
 
 
 Tutorials and Examples
@@ -417,7 +417,7 @@ Requirements
 - `hankel >= 1.0.0 <https://github.com/steven-murray/hankel>`_
 - `emcee >= 3.0.0 <https://github.com/dfm/emcee>`_
 - `pyevtk >= 1.1.1 <https://github.com/pyscience-projects/pyevtk>`_
-- `meshio >= 4.0.0 <https://github.com/nschloe/meshio>`_
+- `meshio >= 5.1.0 <https://github.com/nschloe/meshio>`_
 
 
 Optional

pyproject.toml

@@ -1,15 +1,93 @@
 [build-system]
 requires = [
-    "setuptools>=42",
+    "setuptools>=62",
     "wheel",
-    "setuptools_scm[toml]>=3.5",
+    "setuptools_scm[toml]>=6.4",
     "oldest-supported-numpy",
     "Cython>=0.28.3,<3.0",
+    "extension-helpers",
 ]
 build-backend = "setuptools.build_meta"
 
+[project]
+requires-python = ">=3.7"
+name = "gstools"
+description = "GSTools: A geostatistical toolbox."
+authors = [
+    {name = "Sebastian Müller", email = "[email protected]"},
+    {name = "Lennart Schüler", email = "[email protected]"},
+]
+maintainers = [
+    {name = "Sebastian Müller", email = "[email protected]"},
+    {name = "Lennart Schüler", email = "[email protected]"},
+]
+readme = "README.md"
+license = {file = "LICENSE"}
+dynamic = ["version"]
+classifiers = [
+    "Development Status :: 5 - Production/Stable",
+    "Intended Audience :: Developers",
+    "Intended Audience :: End Users/Desktop",
+    "Intended Audience :: Science/Research",
+    "Intended Audience :: Education",
+    "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
+    "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 :: 3.7",
+    "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",
+]
+dependencies = [
+    "emcee>=3.0.0",
+    "hankel>=1.0.0",
+    "meshio>=5.1.0",
+    "numpy>=1.14.5",
+    "pyevtk>=1.1.1",
+    "scipy>=1.1.0",
+]
+
+[project.optional-dependencies]
+doc = [
+    "m2r2>=0.2.8",
+    "matplotlib>=3",
+    "meshzoo>=0.7",
+    "numpydoc>=1.1",
+    "pykrige>=1.5,<2",
+    "pyvista>=0.29",
+    "sphinx>=4",
+    "sphinx-gallery>=0.8",
+    "sphinx-rtd-theme>=1",
+    "sphinxcontrib-youtube>=1.1",
+]
+plotting = [
+    "matplotlib>=3",
+    "pyvista>=0.29",
+]
+rust = ["gstools_core>=0.2.0,<1"]
+test = ["pytest-cov>=3"]
+
+[project.urls]
+Changelog = "https://github.com/GeoStat-Framework/GSTools/blob/main/CHANGELOG.md"
+Conda-Forge = "https://anaconda.org/conda-forge/gstools"
+Documentation = "https://gstools.readthedocs.io"
+Homepage = "https://geostat-framework.org/#gstools"
+Source = "https://github.com/GeoStat-Framework/GSTools"
+Tracker = "https://github.com/GeoStat-Framework/GSTools/issues"
+
 [tool.setuptools_scm]
-write_to = "gstools/_version.py"
+write_to = "src/gstools/_version.py"
 write_to_template = "__version__ = '{version}'"
 local_scheme = "no-local-version"
 fallback_version = "0.0.0.dev0"
@@ -34,8 +112,8 @@ target-version = [
         "*docs*",
         "*examples*",
         "*tests*",
-        "*/gstools/covmodel/plot.py",
-        "*/gstools/field/plot.py",
+        "*/src/gstools/covmodel/plot.py",
+        "*/src/gstools/field/plot.py",
     ]
 
     [tool.coverage.report]
@@ -46,12 +124,15 @@ target-version = [
     ]
 
 [tool.pylint]
-    [tool.pylint.master]
+    [tool.pylint.main]
     extension-pkg-whitelist = [
         "numpy",
         "scipy",
     ]
     ignore = "_version.py"
+    load-plugins = [
+        "pylint.extensions.no_self_use",
+    ]
 
     [tool.pylint.message_control]
     disable = [
@@ -72,8 +153,8 @@ target-version = [
 [tool.cibuildwheel]
 # Switch to using build
 build-frontend = "build"
-# Disable building PyPy wheels on all platforms, 32bit for py3.10 and musllinux builds
-skip = "pp* cp310-win32 cp310-manylinux_i686 *-musllinux_*"
+# Disable building PyPy wheels on all platforms, 32bit for py3.10 and musllinux builds, py3.6
+skip = ["cp36-*", "pp*", "cp310-win32", "cp310-manylinux_i686", "*-musllinux_*"]
 # Run the package tests using `pytest`
 test-extras = "test"
 test-command = "pytest -v {package}/tests"