Modernize the package a bit (#248)

* udpate PyPI GHA

* remove setuptools_scm_git_archive

* bump to 3.8 b/c that's what is used as min

* update and add config

* fix identation

* run pre-commit

* move some configs to pyproject.toml

* move setup.py to pyproject.toml

* don't use main

* fix typo

* let's rely only on the version file

* tweak for a smaller sdist

* fix license

* list tests

* don't list esmpy

* no numba on py311

* drop py37 from the CIS

* py38 as min

* run pre-commit

* Update .github/workflows/pypi.yaml

Co-authored-by: David Huard <huard.david@ouranos.ca>

---------

Co-authored-by: David Huard <huard.david@ouranos.ca>

.github/workflows/ci.yaml

@@ -22,8 +22,6 @@ jobs:
       matrix:
         include:
           # Warning: Unless in quotations, numbers below are read as floats. 3.10 < 3.2
-          - python-version: '3.7'
-            esmf-version: 8.1
           - python-version: '3.8'
             esmf-version: 8.2
           - python-version: '3.9'
@@ -77,7 +75,7 @@ jobs:
           access_token: ${{ github.token }}
       - uses: actions/checkout@v3
       - name: Create conda environment
-        uses: mamba-org/provision-with-micromamba@main
+        uses: mamba-org/provision-with-micromamba@v15
         with:
           cache-downloads: true
           micromamba-version: 'latest'

.github/workflows/pypi.yaml

@@ -1,48 +1,55 @@
-name: Upload xesmf to PyPI
+name: Publish to PyPI
 
 on:
+  pull_request:
+  push:
+    branches:
+      - main
   release:
     types:
       - published
 
+defaults:
+  run:
+    shell: bash
+
 jobs:
-  deploy:
+  packages:
     runs-on: ubuntu-latest
     steps:
       - uses: actions/checkout@v3
-      - name: Get tags
-        run: git fetch --depth=1 origin +refs/tags/*:refs/tags/*
-        shell: bash
 
       - name: Set up Python
         uses: actions/setup-python@v4
         with:
           python-version: '3.x'
 
-      - name: Install dependencies
+      - name: Get tags
+        run: git fetch --depth=1 origin +refs/tags/*:refs/tags/*
+
+      - name: Install build tools
         run: |
-          python -m pip install --upgrade pip
-          python -m pip install setuptools setuptools-scm wheel twine check-manifest
+          python -m pip install --upgrade build
 
-      - name: Build tarball and wheels
+      - name: Build binary wheel
+        run: python -m build --sdist --wheel . --outdir dist
+
+      - name: CheckFiles
         run: |
-          python setup.py sdist
-          python -m pip wheel . -w dist --no-deps
+          ls dist
+          python -m pip install --upgrade check-manifest
+          check-manifest --verbose
 
-      - name: Test the artifacts
+      - name: Test wheels
         run: |
-          python -m check_manifest --verbose
+          # We cannot run this step b/c esmpy is not available on PyPI
+          # cd dist && python -m pip install *.whl && cd ..
+          python -m pip install --upgrade build twine
           python -m twine check dist/*
 
-      # FIXME: failing at the moment b/c we don't have PyPI ownership
-      # - name: Publish
-      #   env:
-      #     TWINE_USERNAME: ${{ secrets.PYPI_USERNAME }}
-      #     TWINE_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
-      #   run: |
-      #     python -m twine upload dist/*
-
-      - name: upload artifacs
-        uses: actions/upload-artifact@v3
+      - name: Publish a Python distribution to PyPI
+        if: success() && github.event_name == 'release'
+        uses: pypa/gh-action-pypi-publish@release/v1
         with:
-          path: dist/*
+          user: __token__
+          password: ${{ secrets.PYPI_TOKEN }}

.pre-commit-config.yaml

@@ -13,7 +13,7 @@ repos:
       - id: double-quote-string-fixer
 
   - repo: https://github.com/psf/black
-    rev: 22.12.0
+    rev: 23.3.0
     hooks:
       - id: black
 
@@ -37,7 +37,7 @@ repos:
       - id: isort
 
   - repo: https://github.com/pre-commit/mirrors-prettier
-    rev: v3.0.0-alpha.4
+    rev: v3.0.0-alpha.6
     hooks:
       - id: prettier
 
@@ -52,3 +52,19 @@ repos:
             '--keep-execution-count',
             '--keep-empty',
           ]
+
+  - repo: https://github.com/tox-dev/pyproject-fmt
+    rev: 0.9.2
+    hooks:
+      - id: pyproject-fmt
+
+ci:
+  autofix_commit_msg: |
+    [pre-commit.ci] auto fixes from pre-commit.com hooks
+
+    for more information, see https://pre-commit.ci
+  autofix_prs: false
+  autoupdate_commit_msg: '[pre-commit.ci] pre-commit autoupdate'
+  autoupdate_schedule: monthly
+  skip: []
+  submodules: false

MANIFEST.in

@@ -3,14 +3,16 @@ include *.rst
 
 graft xesmf
 
-prune doc
-prune ci
-prune binder
+prune .github
 prune *.egg-info
+prune binder
+prune ci
+prune doc
 
-exclude *.yml
 exclude *.yaml
-exclude .*.toml
+exclude *.yml
 exclude .*.txt
 exclude .gitignore
+exclude .pre-commit-config.yaml
+exclude .prettierrc.toml
 exclude xesmf/_version.py

pyproject.toml

@@ -1,8 +1,68 @@
 [build-system]
-requires = ["setuptools>=41.2", "setuptools_scm", "wheel", "setuptools_scm_git_archive"]
 build-backend = "setuptools.build_meta"
+requires = [
+  "setuptools>=41.2",
+  "setuptools_scm",
+  "wheel",
+]
+
+[project]
+name = "xesmf"
+description = "Universal Regridder for Geospatial Data"
+license = {text = "MIT"}
+authors = [
+    {name = "Jiawei Zhuang", email = "jiaweizhuang@g.harvard.edu"},
+]
+requires-python = ">=3.8"
+classifiers = [
+    'Development Status :: 4 - Beta',
+    'License :: OSI Approved :: MIT License',
+    'Operating System :: OS Independent',
+    'Intended Audience :: Science/Research',
+    'Programming Language :: Python',
+    'Programming Language :: Python :: 3',
+    'Programming Language :: Python :: 3.7',
+    'Programming Language :: Python :: 3.8',
+    'Programming Language :: Python :: 3.9',
+    'Programming Language :: Python :: 3.10',
+    'Topic :: Scientific/Engineering',
+]
+dynamic = [
+  "dependencies",
+  "readme",
+  "version",
+]
+[project.urls]
+documentation = "https://xesmf.readthedocs.io/en/latest/"
+homepage = "https://github.com/pangeo-data/xESMF"
+repository = "https://github.com/pangeo-data/xESMF"
+
+[tool.setuptools]
+packages = ["xesmf", "xesmf.tests"]
+license-files = ["LICENSE"]
+
+[tool.setuptools.dynamic]
+dependencies = {file = ["requirements.txt"]}
+readme = {file = "README.rst", content-type = "text/x-rst"}
+
+[tool.setuptools_scm]
+write_to = "xesmf/_version.py"
+write_to_template = "__version__ = '{version}'"
 
 [tool.black]
 line-length = 100
 target-version = ['py38']
 skip-string-normalization = true
+
+[tool.isort]
+known_first_party = "xesmf"
+known_third_party =  ["cf_xarray", "cftime", "dask", "numba", "numpy", "pytest", "shapely", "sparse", "xarray"]
+multi_line_output = 3
+include_trailing_comma = true
+force_grid_wrap = 0
+combine_as_imports = true
+line_length = 100
+skip = [
+    "setup.py",
+	"doc/conf.py",
+]

readthedocs.yml

@@ -1,8 +1,10 @@
-build:
-  image: latest
-
 version: 2
 
+build:
+  os: ubuntu-22.04
+  tools:
+    python: '3.8'
+
 python:
   install:
     - requirements: doc/requirements.txt

requirements.txt

@@ -0,0 +1,8 @@
+cf-xarray>=0.5.1
+# We cannot list this  here b/c it is not on PyPI.
+#esmpy>=8.0.0
+numba >=0.55.2
+numpy>=1.16
+shapely
+sparse>=0.8.0
+xarray>=0.16.2

setup.cfg

@@ -8,15 +8,3 @@ max-line-length = 100
 max-complexity = 18
 select = B,C,E,F,W,T4,B9
 extend-ignore = E203,E501,E402,W605
-
-[isort]
-known_first_party = xesmf
-known_third_party = cf_xarray,cftime,dask,numba,numpy,pytest,setuptools,shapely,sparse,xarray
-multi_line_output = 3
-include_trailing_comma = True
-force_grid_wrap = 0
-combine_as_imports = True
-line_length = 100
-skip =
-	doc/conf.py
-	setup.py

xesmf/backend.py

@@ -420,7 +420,6 @@ def esmf_regrid_build(
 
     # conservative regridding needs cell corner information
     if method in ['conservative', 'conservative_normed']:
-
         if not isinstance(sourcegrid, ESMF.Mesh) and not sourcegrid.has_corners:
             raise ValueError(
                 'source grid has no corner information. ' 'cannot use conservative regridding.'

xesmf/frontend.py

@@ -29,7 +29,6 @@
 
 
 def as_2d_mesh(lon, lat):
-
     if (lon.ndim, lat.ndim) == (2, 2):
         assert lon.shape == lat.shape, 'lon and lat should have same shape'
     elif (lon.ndim, lat.ndim) == (1, 1):