Update diffmah packaging to pyproject.toml

.git_archival.txt

@@ -0,0 +1,4 @@
+node: $Format:%H$
+node-date: $Format:%cI$
+describe-name: $Format:%(describe:tags=true)$
+ref-names: $Format:%D$

.gitattributes

@@ -0,0 +1 @@
+.git_archival.txt  export-subst

.github/workflows/tests.yml

@@ -13,6 +13,8 @@ jobs:
 
     steps:
       - uses: actions/checkout@v2
+        with:
+          fetch-depth: 0
 
       - uses: conda-incubator/setup-miniconda@v2
         with:
@@ -22,19 +24,24 @@ jobs:
           show-channel-urls: true
           miniforge-version: latest
           miniforge-variant: Mambaforge
+          use-mamba: true
 
       - name: configure conda and install code
         shell: bash -l {0}
         run: |
           conda config --set always_yes yes
-          conda install --quiet \
+          mamba install --quiet \
             --file=requirements.txt
-          python -m pip install --no-deps -e .
-          conda install -y -q \
+          mamba install -y -q \
             flake8 \
             pytest \
             pytest-xdist \
-            pytest-cov
+            pytest-cov \
+            pip \
+            setuptools \
+            "setuptools_scm>=7,<8" \
+            python-build
+          python -m pip install --no-build-isolation --no-deps -e .
 
       - name: lint
         shell: bash -l {0}
@@ -48,3 +55,27 @@ jobs:
 
       - name: Upload coverage reports to Codecov
         uses: codecov/codecov-action@v3
+
+      - name: test versions
+        shell: bash -el {0}
+        run: |
+          pip uninstall diffmah --yes
+          [[ $(python setup.py --version) != "0.0.0" ]] || exit 1
+
+          rm -rf dist/*
+          python setup.py sdist
+          pip install --no-deps --no-build-isolation dist/*.tar.gz
+          pushd ..
+          python -c "import diffmah; assert diffmah.__version__ != '0.0.0'"
+          popd
+          pip uninstall diffmah --yes
+
+          rm -rf dist/*
+          python -m build --sdist . --outdir dist
+          pip install --no-deps --no-build-isolation dist/*.tar.gz
+          pushd ..
+          python -c "import diffmah; assert diffmah.__version__ != '0.0.0'"
+          popd
+          pip uninstall diffmah --yes
+
+          python -m pip install -v --no-deps --no-build-isolation -e .

.gitignore

@@ -1,3 +1,5 @@
+diffmah/_version.py
+
 # Byte-compiled / optimized / DLL files
 __pycache__/
 *.py[cod]

.readthedocs.yml

@@ -3,9 +3,15 @@ version: 2
 sphinx:
   configuration: docs/source/conf.py
 
+build:
+  os: "ubuntu-22.04"
+  tools:
+    python: "mambaforge-22.9"
+
+conda:
+  environment: docs/source/rtd_environment.yaml
+
 python:
-  version: 3
   install:
     - method: pip
       path: .
-    - requirements: docs/source/requirements.txt

CHANGES.rst

@@ -1,7 +1,10 @@
-0.5.0 (in progress)
+0.4.2 (in progress)
 ------------------
 - Remove optional mah_type argument of mc_halo_population function
 - Implement differentiable kernel for mc_halo_population function
+- Update requirement to python>=3.9
+- Update packaging structure to pyproject.toml
+- Remove diffmah/_version.py and switch to dynamic versioning
 
 0.4.1 (2022-09-17)
 ------------------

docs/source/conf.py

@@ -1,15 +1,20 @@
 # Configuration file for the Sphinx documentation builder.
 #
-# For the full list of built-in configuration values, see the documentation:
-# https://www.sphinx-doc.org/en/master/usage/configuration.html
+"""
+"""
+from pkg_resources import DistributionNotFound, get_distribution
 
-# -- Project information -----------------------------------------------------
-# https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information
+try:
+    __version__ = get_distribution("diffmah").version
+except DistributionNotFound:
+    __version__ = "unknown version"
 
 project = "diffmah"
 copyright = "2022, Andrew Hearin"
 author = "Andrew Hearin"
 release = "0.4.1"
+version = __version__
+release = __version__
 
 # -- General configuration ---------------------------------------------------
 # https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

docs/source/rtd_environment.yaml

@@ -0,0 +1,18 @@
+name: rtd311
+channels:
+  - conda-forge
+  - defaults
+dependencies:
+  - python=3.10
+  - pip
+  - pandoc>=3.1,<4.0
+  - nbsphinx
+  - jupyter
+  - matplotlib
+  - sphinx=7.2.4
+  - sphinx-copybutton
+  - numpy
+  - jax
+  - jaxlib
+  - diffmah
+  - h5py

pyproject.toml

@@ -0,0 +1,49 @@
+[build-system]
+requires = [
+    "setuptools>=45",
+    "setuptools_scm>=7", 
+    "tomli>=1.0.0; python_version < '3.11'",
+]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools_scm]
+write_to = "diffmah/_version.py"
+write_to_template = "__version__ = '{version}'\n"
+
+[tool.setuptools]
+include-package-data = true
+packages = {find = {exclude=["tests*", "scripts*", "docs*", "notebooks*"]}}
+package-data = {diffmah = ["data/*.dat", "tests/testing_data/*.dat"]}
+package-dir = {diffmah = "diffmah"}
+
+[project.urls]
+home = "https://github.com/ArgonneCPAC/diffmah"
+
+[project]
+name = "diffmah"
+authors = [
+    {name = "Andrew Hearin", email = "[email protected]"},
+]
+description = "Differentiable model of dark matter halo assembly"
+readme = "README.md"
+requires-python = ">=3.9"
+license = {file = "LICENSE.rst"}
+classifiers = [
+    "Programming Language :: Python :: 3",
+]
+dependencies = ["numpy", "jax"]
+dynamic = ["version"]
+
+[tool.black]
+line-length = 88
+
+[tool.isort]
+profile = "black"
+
+[tool.flake8]
+ignore = ["E231", "E241", "E501", "W503"]
+per-file-ignores = [
+    "__init__.py:F401",
+]
+max-line-length = 88
+count = true

setup.py

@@ -1,23 +1,3 @@
-import os
-from setuptools import setup, find_packages
+from setuptools import setup
 
-
-__version__ = None
-pth = os.path.join(
-    os.path.dirname(os.path.realpath(__file__)), "diffmah", "_version.py"
-)
-with open(pth, "r") as fp:
-    exec(fp.read())
-
-
-setup(
-    name="diffmah",
-    version=__version__,
-    author="Andrew Hearin",
-    author_email="[email protected]",
-    description="Differentiable model of dark matter halo assembly",
-    install_requires=["numpy", "jax"],
-    packages=find_packages(),
-    url="https://github.com/ArgonneCPAC/diffmah",
-    package_data={"diffmah": ("data/*.dat", "tests/testing_data/*.dat")},
-)
+setup()