refactor(setup): prefer setup.cfg for package metadata, and other cha…

…nges

 * Assign one author and one maintainer, which is expected by PyPI
 * Expand a few classifiers, add keywords and project URLs
 * Use python_requires, auto-find packages, and set zip_safe=False
 * Add pyproject.toml with black configuration, with default "-l 79"
 * Remove pypandoc dependency, specify 'text/markdown' content type
 * Change default sdist format to zip

.github/workflows/ci.yml

@@ -82,9 +82,9 @@ jobs:
     - name: Run black
       run: |
         echo "if black check fails run"
-        echo "  black --line-length 79 ./flopy"
+        echo "  black ./flopy"
         echo "and then commit the changes."
-        black --check --line-length 79 ./flopy
+        black --check ./flopy
 
     - name: Run flake8
       run: |

CONTRIBUTING.md

@@ -58,7 +58,7 @@ Before you submit your Pull Request (PR) consider the following guidelines:
 1. Run the [black formatter](https://github.com/psf/black) on Flopy source files from the git repository root directory using:
 
    ```shell
-   black -l 79 ./flopy
+   black ./flopy
    ```
    Note: Pull Requests must pass black format checks run on the [GitHub actions](https://github.com/modflowpy/flopy/actions) (*linting*) before they will be accepted. The black formatter can be installed using [`pip`](https://pypi.org/project/black/) and [`conda`](https://anaconda.org/conda-forge/black). 
 

docs/make_release.md

@@ -23,7 +23,7 @@ Instructions for making a FloPy release
     5.  Run `black` on the updated MODFLOW 6 package classes by running the following from the root directory:
 
         ```
-        black -l 79 flopy/mf6
+        black flopy/mf6
         ```
 
 
@@ -120,26 +120,24 @@ Use `run_notebooks.py` in the `release` directory to rerun all of the notebooks
 
 ## Update PyPi
 
-1.  Make sure `pypandoc` and `twine` are installed using:
+1.  Make sure `twine` is installed using:
 
     ```
-    conda search pypandoc
     conda search twine
     ```
 
 
-2.  If they are not installed, install one or both using using:
+2.  If it is not installed, install using using:
 
 
     ```
-    conda install pypandoc
     conda install twine
     ```
 
 3.  Create the source zip file in a terminal using:
 
     ```
-    python setup.py sdist --format=zip
+    python setup.py sdist
     ```
 
 4.  Upload the release to PyPi using (*make sure* `twine` *is installed using conda*):

flopy/mf6/modflow/mfgwf.py

@@ -91,7 +91,7 @@ def __init__(
         save_flows=None,
         newtonoptions=None,
         packages=None,
-        **kwargs
+        **kwargs,
     ):
         super().__init__(
             simulation,
@@ -101,7 +101,7 @@ def __init__(
             version=version,
             exe_name=exe_name,
             model_rel_path=model_rel_path,
-            **kwargs
+            **kwargs,
         )
 
         self.name_file.list.set_data(list)

flopy/mf6/modflow/mfgwt.py

@@ -85,7 +85,7 @@ def __init__(
         print_flows=None,
         save_flows=None,
         packages=None,
-        **kwargs
+        **kwargs,
     ):
         super().__init__(
             simulation,
@@ -95,7 +95,7 @@ def __init__(
             version=version,
             exe_name=exe_name,
             model_rel_path=model_rel_path,
-            **kwargs
+            **kwargs,
         )
 
         self.name_file.list.set_data(list)

pyproject.toml

@@ -0,0 +1,8 @@
+[build-system]
+# Minimum requirements for the build system to execute
+requires = ["setuptools>=40.8.0", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[tool.black]
+line-length = 79
+target_version = ["py37"]

setup.cfg

@@ -0,0 +1,81 @@
+[metadata]
+name = flopy
+version = attr: flopy.version.__version__
+description = FloPy is a Python package to create, run, and post-process MODFLOW-based models
+long_description = file: docs/PyPi_release.md
+long_description_content_type = text/markdown
+author = USGS MODFLOW Team
+author_email = modflow@usgs.gov
+maintainer = Joseph D. Hughes
+maintainer_email = jdhughes@usgs.gov
+license = CC0
+license_files = LICENSE, LICENSE.md
+platform = Windows, Mac OS-X, Linux
+keywords = MODFLOW, groundwater, hydrogeology
+classifiers =
+    Development Status :: 5 - Production/Stable
+    Intended Audience :: Science/Research
+    License :: CC0 1.0 Universal (CC0 1.0) Public Domain Dedication
+    Programming Language :: Python
+    Programming Language :: Python :: 3 :: Only
+    Topic :: Scientific/Engineering :: Hydrology
+url = https://github.com/modflowpy/flopy
+download_url = https://pypi.org/project/flopy
+project_urls =
+    Documentation = https://flopy.readthedocs.io
+    Release Notes = https://github.com/modflowpy/flopy/blob/develop/docs/version_changes.md
+    Bug Tracker = https://github.com/modflowpy/flopy/issues
+    Source Code = https://github.com/modflowpy/flopy
+
+[options]
+include_package_data = True  # includes files listed in MANIFEST.in
+zip_safe = False
+packages = find:
+python_requires = >=3.7
+install_requires =
+    numpy >= 1.15.0
+    matplotlib >= 1.4.0
+
+[options.package_data]
+flopy.export = longnames.json, unitsformat.json
+flopy.mf6.data = dfn/*.dfn
+flopy.plot = mplstyle/*.mplstyle
+
+[sdist]
+formats = zip
+
+[flake8]
+exclude =
+    .git,
+    __pycache__,
+    build,
+    dist,
+    examples,
+    autotest
+ignore =
+    # https://flake8.pycqa.org/en/latest/user/error-codes.html
+    F401, # 'module' imported but unused
+    # https://pycodestyle.readthedocs.io/en/latest/intro.html#error-codes
+    E121, # continuation line under-indented for hanging indent
+    E122, # continuation line missing indentation or outdented
+    E126, # continuation line over-indented for hanging indent
+    E127, # continuation line over-indented for visual indent
+    E128, # continuation line under-indented for visual indent
+    E203, # whitespace before
+    E221, # multiple spaces before operator
+    E222, # multiple spaces after operator
+    E226, # missing whitespace around arithmetic operator
+    E231, # missing whitespace after ','
+    E241, # multiple spaces after ','
+    E402, # module level import not at top of file
+    E501, # line too long (> 79 characters)
+    E502, # backslash is redundant between brackets
+    E722, # do not use bare 'except'
+    E741, # ambiguous variable name
+    W291, # trailing whitespace
+    W292, # no newline at end of file
+    W293, # blank line contains whitespace
+    W391, # blank line at end of file
+    W503, # line break before binary operator
+    W504  # line break after binary operator
+statistics = True

setup.py

@@ -1,58 +1,4 @@
-import os
-import sys
 from setuptools import setup
 
-# ensure minimum version of Python is running
-if sys.version_info[0:2] < (3, 7):
-    raise RuntimeError("Flopy requires Python >= 3.7")
 
-# local import of package variables in flopy/version.py
-# imports __version__, __pakname__, __author__, __author_email__
-exec(open(os.path.join("flopy", "version.py")).read())
-
-try:
-    import pypandoc
-
-    fpth = os.path.join("docs", "PyPi_release.md")
-    long_description = pypandoc.convert(fpth, "rst")
-except ImportError:
-    long_description = ""
-
-setup(
-    name=__pakname__,
-    description="FloPy is a Python package to create, run, and "
-    + "post-process MODFLOW-based models.",
-    long_description=long_description,
-    author=__author__,
-    author_email=__author_email__,
-    url="https://github.com/modflowpy/flopy/",
-    license="CC0",
-    platforms="Windows, Mac OS-X, Linux",
-    install_requires=[
-        "numpy>=1.15.0",
-        "matplotlib>=1.4.0",
-    ],
-    packages=[
-        "flopy",
-        "flopy.modflow",
-        "flopy.modflowlgr",
-        "flopy.mfusg",
-        "flopy.modpath",
-        "flopy.mt3d",
-        "flopy.seawat",
-        "flopy.utils",
-        "flopy.plot",
-        "flopy.pest",
-        "flopy.export",
-        "flopy.discretization",
-        "flopy.mf6",
-        "flopy.mf6.coordinates",
-        "flopy.mf6.data",
-        "flopy.mf6.modflow",
-        "flopy.mf6.utils",
-    ],
-    include_package_data=True,  # includes files listed in MANIFEST.in
-    # use this version ID if .svn data cannot be found
-    version=__version__,
-    classifiers=["Topic :: Scientific/Engineering :: Hydrology"],
-)
+setup()