[DevOps]: CDAT Migration: Replace setup.py with pyproject.toml fo…

…r modern Python packaging (#895)

.github/workflows/build_workflow.yml

@@ -29,10 +29,10 @@ jobs:
         uses: actions/checkout@v3
 
       - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
-        name: Set up Python 3.10
+        name: Set up Python 3.11
         uses: actions/setup-python@v3
         with:
-          python-version: "3.10"
+          python-version: "3.11"
 
       - if: ${{ steps.skip_check.outputs.should_skip != 'true' }}
         # Run all pre-commit hooks on all the files.
@@ -50,7 +50,7 @@ jobs:
         shell: bash -l {0}
     strategy:
       matrix:
-        python-version: ["3.9", "3.10"]
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
     steps:
       - id: skip_check
         uses: fkirc/skip-duplicate-actions@master

.pre-commit-config.yaml

@@ -1,5 +1,5 @@
 exclude: "docs|node_modules|migrations|.git|.tox|examples|analysis_data_preprocess|auxiliary_tools|conda/meta.yaml|e3sm_diags/driver/utils/zwf_functions.py"
-default_stages: [commit]
+default_stages: [pre-commit]
 fail_fast: true
 
 repos:

conda-env/ci.yml

@@ -18,7 +18,7 @@ dependencies:
   - esmpy >=8.4.0
   - lxml
   - mache >=0.15.0
-  - matplotlib-base
+  - matplotlib-base >=3.8.2
   - netcdf4
   - output_viewer >=1.3.0
   - numpy >=2.0.0,<3.0.0

conda-env/dev.yml

@@ -16,7 +16,7 @@ dependencies:
   - esmpy >=8.4.0
   - lxml
   - mache >=0.15.0
-  - matplotlib-base
+  - matplotlib-base >=3.8.2
   - netcdf4
   - output_viewer >=1.3.0
   - numpy >=2.0.0,<3.0.0

pyproject.toml

@@ -1,3 +1,155 @@
+[build-system]
+requires = ["setuptools>=42", "wheel"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "e3sm_diags"
+dynamic = ["version"]
+description = "E3SM Diagnostics"
+authors = [
+  { name = "Chengzhu (Jill) Zhang", email = "[email protected]" },
+  { name = "Tom Vo" },
+  { name = "Ryan Forsyth" },
+  { name = "Chris Golaz" },
+  { name = "Zeshawn Shaheen" },
+]
+license = { text = "BSD 3-Clause" }
+readme = "README.md"
+requires-python = ">=3.9"
+classifiers = [
+  "Development Status :: 5 - Production/Stable",
+  "Intended Audience :: Developers",
+  "License :: OSI Approved :: BSD 3-Clause License",
+  "Natural Language :: English",
+  "Programming Language :: Python :: 3",
+  "Programming Language :: Python :: 3.9",
+  "Programming Language :: Python :: 3.10",
+  "Programming Language :: Python :: 3.11",
+  "Programming Language :: Python :: 3.12",
+]
+dependencies = [
+  "beautifulsoup4",
+  "cartopy >=0.17.0",
+  # This package is not available on PyPI.
+  # "cartopy_offlinedata",
+  "cf-units",
+  "dask",
+  "esmpy >=8.4.0",
+  "lxml",
+  "mache >=0.15.0",
+  "matplotlib >=3.8.2",
+  "netcdf4",
+  "output_viewer >=1.3.0",
+  "numpy >=2.0.0,<3.0.0",
+  "shapely >=2.0.0,<3.0.0",
+  "xarray >=2024.03.0",
+  "xcdat >=0.7.3,<1.0.0",
+  "xesmf >=0.8.7",
+  "xskillscore >=0.0.20",
+]
+
+[project.optional-dependencies]
+test = ["pytest", "pytest-cov"]
+docs = ["sphinx", "sphinx_rtd_theme", "sphinx-multiversion"]
+dev = [
+  "black",
+  "flake8",
+  "flake8-isort",
+  "isort",
+  "mypy",
+  "pre-commit",
+  "types-PyYAML",
+]
+
+[project.urls]
+Documentation = "https://docs.e3sm.org/e3sm_diags/_build/html/main/index.html"
+"Issue Tracker" = "https://github.com/E3SM-Project/e3sm_diags/issues"
+
+[project.scripts]
+e3sm_diags = "e3sm_diags.e3sm_diags_driver:main"
+e3sm_diags_vars = "e3sm_diags.e3sm_diags_vars:main"
+
+[tool.setuptools.packages.find]
+include = ["e3sm_diags", "e3sm_diags.*"]
+
+[tool.setuptools.dynamic]
+version = { attr = "e3sm_diags.__version__" }
+
+[tool.setuptools.data-files]
+"share/e3sm_diags" = [
+  "e3sm_diags/driver/acme_ne30_ocean_land_mask.nc",
+  "misc/e3sm_logo.png",
+]
+
+"share/e3sm_diags/viewer" = ["e3sm_diags/viewer/index_template.html"]
+
+"share/e3sm_diags/zonal_mean_xy" = [
+  "e3sm_diags/driver/default_diags/zonal_mean_xy*",
+  "e3sm_diags/driver/default_diags/legacy_diags/zonal_mean_xy*",
+]
+"share/e3sm_diags/zonal_mean_2d" = [
+  "e3sm_diags/driver/default_diags/zonal_mean_2d_model*",
+  "e3sm_diags/driver/default_diags/legacy_diags/zonal_mean_2d*",
+]
+"share/e3sm_diags/zonal_mean_2d_stratosphere" = [
+  "e3sm_diags/driver/default_diags/zonal_mean_2d_stratosphere*",
+]
+"share/e3sm_diags/meridional_mean_2d" = [
+  "e3sm_diags/driver/default_diags/meridional_mean_2d*",
+]
+"share/e3sm_diags/lat_lon" = [
+  "e3sm_diags/driver/default_diags/lat_lon*",
+  "e3sm_diags/driver/default_diags/legacy_diags/lat_lon*",
+]
+"share/e3sm_diags/polar" = [
+  "e3sm_diags/driver/default_diags/polar*",
+  "e3sm_diags/driver/default_diags/legacy_diags/polar*",
+]
+"share/e3sm_diags/lat_lon_vector" = [
+  "e3sm_diags/driver/default_diags/lat_lon_vector*",
+]
+"share/e3sm_diags/lat_lon_land" = [
+  "e3sm_diags/driver/default_diags/lat_lon_land*",
+]
+"share/e3sm_diags/lat_lon_river" = [
+  "e3sm_diags/driver/default_diags/lat_lon_river*",
+]
+"share/e3sm_diags/cosp_histogram" = [
+  "e3sm_diags/driver/default_diags/cosp_histogram*",
+  "e3sm_diags/driver/default_diags/legacy_diags/cosp_histogram*",
+]
+"share/e3sm_diags/area_mean_time_series" = [
+  "e3sm_diags/driver/default_diags/area_mean_time_series*",
+]
+"share/e3sm_diags/enso_diags" = ["e3sm_diags/driver/default_diags/enso_*"]
+"share/e3sm_diags/qbo" = ["e3sm_diags/driver/default_diags/qbo*"]
+"share/e3sm_diags/streamflow" = ["e3sm_diags/driver/default_diags/streamflow*"]
+"share/e3sm_diags/diurnal_cycle" = [
+  "e3sm_diags/driver/default_diags/diurnal_cycle_*",
+]
+"share/e3sm_diags/arm_diags" = ["e3sm_diags/driver/default_diags/arm_diags_*"]
+"share/e3sm_diags/tc_analysis" = [
+  "e3sm_diags/driver/default_diags/tc_analysis_*",
+]
+"share/e3sm_diags/annual_cycle_zonal_mean" = [
+  "e3sm_diags/driver/default_diags/annual_cycle_zonal_mean_*",
+]
+"share/e3sm_diags/aerosol_aeronet" = [
+  "e3sm_diags/driver/default_diags/aerosol_aeronet*cfg",
+  "e3sm_diags/driver/default_diags/aerosol_aeronet_data/*.txt",
+]
+"share/e3sm_diags/aerosol_budget" = [
+  "e3sm_diags/driver/default_diags/aerosol_budget*cfg",
+]
+"share/e3sm_diags/mp_partition" = [
+  "e3sm_diags/driver/default_diags/mp_partition*cfg",
+]
+"share/e3sm_diags/tropical_subseasonal" = [
+  "e3sm_diags/driver/default_diags/tropical_subseasonal*cfg",
+]
+"share/e3sm_diags/colormaps" = ["e3sm_diags/plot/colormaps/*.rgb"]
+"share/e3sm_diags/control_runs" = ["e3sm_diags/driver/control_runs/*"]
+
 [tool.black]
 # Docs: https://black.readthedocs.io/en/stable/usage_and_configuration/the_basics.html
 line-length = 88
@@ -20,7 +172,7 @@ exclude = '''
     | config
     | conda
     | analysis_data_preprocess
- )/
+)/
 '''
 
 [tool.isort]

tbump.toml

@@ -22,9 +22,6 @@ tag_template = "v{new_version}"
 # For each file to patch, add a [[file]] config
 # section containing the path of the file, relative to the
 # tbump.toml location.
-[[file]]
-src = "setup.py"
-
 [[file]]
 src = "e3sm_diags/__init__.py"