BLD: Add pyproject.toml (#241)

* BLD: Initial try at pyproject.toml

I think I got every key from setup.py.
The main difference is if the READTHEDOCS environment variable is set: I don't know how to change the dependencies based on that.

On the other hand, given 3.8 is close to or past EOL, I suspect 3.3 is relatively uncommon, and the RTD install, without the unneeded bits, could be accomplished with pip install --no-deps.

* BLD,BUG: Fix pyproject.toml configuration and remove setup.py duplicates.

numpy.distutils recommends setuptools<60, but that breaks pyproject.toml
configuration.  I like this way better.  Still needs setup.py for the
fortran module and for the Cheyenne configuration.

* FIX: Require a setuptools version that understands the configuration.

setuptools<60 just gets confused, and has no idea what the project name is.
I just inverted that requirement: not sure if setuptools needs to be more recent still.

* BLD: Quote version requirement.

* BLD: Specify dependencies in pyproject.toml only.

Remove requirements.txt.

* DOC: Don't install dependencies on RTD

The old setup script replaced the dependencies listed in requirements.txt with mock if python was old enough and nothing if python was recent.

The package no longer supports python versions that old (<3.3), so installing without dependencies is likely the correct way to handle the RTD configuration.

* BLD,BUG: Remove references to requirements, not just definitions

Forgot to remove this two or three commits back.

* BLD: Let's see if NumPy < 2.0 fixes the error

* BLD: Pin setuptools<60

NumPy suggested it, it might help with the distutils failure.

* BLD: Pin setuptools<71

Let's see if that change is the one that broke things.

* BLD: Add subroutines to f90 modules so f2py adds code for them.

If it's just constants used somewhere, f2py drops the module.

* BLD: Remove build-time setuptools pin.

* BLD: Pin setuptools<70 to get msvccompiler

* BLD: Add -fopenmp to LDFLAGS

Let's see if this gets Linux compiles working.

---------

Co-authored-by: Katelyn FitzGerald <[email protected]>

.readthedocs.yml

@@ -11,7 +11,7 @@ build:
     python: "mambaforge-4.10"
   jobs:
     post_create_environment:
-      - python -m pip install --no-cache-dir .
+      - python -m pip install --no-cache-dir --no-deps .
 
 # Build documentation in the docs/ directory with Sphinx
 sphinx:

MANIFEST.in

@@ -1,6 +1,5 @@
 include README.md
 include LICENSE
-include requirements.txt
 
 include fortran/*.f90
 include fortran/*.pyf

build_scripts/gnu_omp.sh

@@ -11,6 +11,7 @@ $FC -E ompgen.F90 -fopenmp -cpp -o omp.f90
 cd ..
 
 python setup.py clean --all
+export LDFLAGS=" -fopenmp "
 python setup.py config_fc --f90flags="-mtune=generic -fopenmp" build_ext --libraries="gomp" build
 pip install .
 

fortran/omp.f90

@@ -7,6 +7,9 @@ MODULE omp_constants
     INTEGER(KIND=fomp_sched_kind), PARAMETER :: fomp_sched_dynamic = 2
     INTEGER(KIND=fomp_sched_kind), PARAMETER :: fomp_sched_guided = 3
     INTEGER(KIND=fomp_sched_kind), PARAMETER :: fomp_sched_auto = 4
+contains
+  subroutine have_omp_constants()
+  end subroutine have_omp_constants
 END MODULE omp_constants
 
 

fortran/ompgen.F90

@@ -20,6 +20,10 @@ MODULE omp_constants
     INTEGER(KIND=4), PARAMETER :: fomp_sched_auto = 4
 #endif
 
+contains
+  subroutine have_omp_constants()
+  end subroutine have_omp_constants
+
 END MODULE omp_constants
 
 

fortran/ompgen.F90.template

@@ -20,6 +20,10 @@ MODULE omp_constants
     INTEGER(KIND=4), PARAMETER :: fomp_sched_auto = 4
 #endif
 
+contains
+  subroutine have_omp_constants()
+  end subroutine have_omp_constants
+
 END MODULE omp_constants
 
 

fortran/wrf_constants.f90

@@ -69,6 +69,9 @@ MODULE wrf_constants
     REAL(KIND=8), PARAMETER :: EXPON =  RD*USSALR/G
     REAL(KIND=8), PARAMETER :: EXPONI =  1./EXPON
 
+  contains
+    subroutine have_wrf_constants()
+    end subroutine have_wrf_constants
 
 END MODULE wrf_constants
 

pyproject.toml

@@ -0,0 +1,61 @@
+[build-system]
+requires = ["setuptools>=61, <70", "numpy"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "wrf-python"
+authors = [
+    { name = "Bill Ladwig" }
+]
+maintainers = [
+    { name = "GeoCAT", email = "[email protected]" },
+]
+description = "Diagnostic and interpolation routines for WRF-ARW data."
+readme = "README.md"
+requires-python = ">=3.7, <3.12"
+keywords = [
+    "python", "wrf-python", "wrf", "forecast", "model",
+    "weather research and forecasting", "interpolation",
+    "plotting", "plots", "meteorology", "nwp",
+    "numerical weather prediction", "diagnostic",
+    "science", "numpy"
+]
+classifiers = [
+    "Development Status :: 5 - Production/Stable",
+    "Intended Audience :: Science/Research",
+    "Intended Audience :: Developers",
+    "License :: OSI Approved :: Apache Software License",
+    "Programming Language :: Fortran",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Topic :: Scientific/Engineering :: Atmospheric Science",
+    "Topic :: Software Development",
+    "Operating System :: POSIX",
+    "Operating System :: Unix",
+    "Operating System :: MacOS",
+    "Operating System :: Microsoft :: Windows"
+]
+license = { text = "Apache-2.0" }
+dynamic = [ "version" ]
+dependencies = [
+    "basemap",
+    "numpy >=1.11, !=1.24.3",
+    "setuptools",
+    "wrapt",
+    "xarray"
+]
+
+[project.urls]
+Repository = "https://github.com/NCAR/wrf-python"
+Documentation = "https://wrf-python.rtfd.org"
+
+[tool.setuptools]
+package-data = { "wrf" = ["data/psadilookup.dat"]}
+platforms = ["any"]
+
+[tool.setuptools.packages.find]
+where = ["src"]
+
+[tool.setuptools.dynamic]
+version = { attr = "wrf.version.__version__" }

setup.py

@@ -1,18 +1,7 @@
 import os
-import sys
 import setuptools
 import socket
 
-# Bootstrap a numpy installation before trying to import it.
-import importlib
-try:
-    numpy_module = importlib.util.find_spec('numpy')
-    if numpy_module is None:
-        raise ModuleNotFoundError
-except (ImportError, ModuleNotFoundError):
-    import subprocess
-    subprocess.call([sys.executable, '-m', 'pip', 'install', 'numpy'])
-
 if not socket.gethostname().startswith("cheyenne"):
     import numpy.distutils.core
 else:
@@ -53,70 +42,15 @@
              "fortran/omp.f90"]
     )
 
-#Note: __version__ will be set in the version.py script loaded below
-__version__ = None
-with open("src/wrf/version.py") as f:
-    exec(f.read())
-
 on_rtd = os.environ.get("READTHEDOCS", None) == "True"
 # on_rtd=True
 if on_rtd:
-    if sys.version_info < (3, 3):
-        requirements = ["mock"]  # for python2 and python < 3.3
-    else:
-        requirements = []  # for >= python3.3
     ext_modules = []
 
 else:
-    # Place install_requires into the text file "requirements.txt"
-    with open("requirements.txt") as f2:
-        requirements = f2.read().strip().splitlines()
-
-        # if sys.version_info < (3,3):
-        #     requirements.append("mock")
     ext_modules = [ext1]
 
 numpy.distutils.core.setup(
-    name='wrf-python',
-    author="Bill Ladwig",
-    maintainer="GeoCAT",
-    maintainer_email="[email protected]",
-    description="Diagnostic and interpolation routines for WRF-ARW data.",
-    long_description=("A collection of diagnostic and interpolation "
-                      "routines to be used with WRF-ARW data.\n\n"
-                      "GitHub Repository:\n\n"
-                      "https://github.com/NCAR/wrf-python\n\n"
-                      "Documentation:\n\n"
-                      "https://wrf-python.rtfd.org\n"),
-    url="https://github.com/NCAR/wrf-python",
-    version=__version__,
-    package_dir={"": "src"},
-    keywords=["python", "wrf-python", "wrf", "forecast", "model",
-              "weather research and forecasting", "interpolation",
-              "plotting", "plots", "meteorology", "nwp",
-              "numerical weather prediction", "diagnostic",
-              "science", "numpy"],
-    python_requires='>=3.9, <3.12',
-    install_requires=requirements,
-    classifiers=["Development Status :: 5 - Production/Stable",
-                 "Intended Audience :: Science/Research",
-                 "Intended Audience :: Developers",
-                 "License :: OSI Approved :: Apache Software License",
-                 "Programming Language :: Fortran",
-                 "Programming Language :: Python :: 3.9",
-                 "Programming Language :: Python :: 3.10",
-                 "Programming Language :: Python :: 3.11",
-                 "Topic :: Scientific/Engineering :: Atmospheric Science",
-                 "Topic :: Software Development",
-                 "Operating System :: POSIX",
-                 "Operating System :: Unix",
-                 "Operating System :: MacOS",
-                 "Operating System :: Microsoft :: Windows"],
-    platforms=["any"],
-    license="Apache License 2.0",
-    packages=setuptools.find_packages("src"),
     ext_modules=ext_modules,
-    download_url="https://python.org/pypi/wrf-python",
-    package_data={"wrf": ["data/psadilookup.dat"]},
     scripts=[]
 )