Merge pull request #240 from MPoL-dev/pyproject

Switch to pyproject and hatch build

.gitignore

@@ -139,5 +139,9 @@ dirty_image_model.pt
 # setup file
 project_setup.sh
 
+# likely folders from testing
 plotsdir
 runs
+
+# hatch-generated version file
+src/mpol/mpol_version.py

docs/changelog.md

@@ -4,6 +4,9 @@
 
 ## v0.2.1
 
+- Fully leaned into the `pyproject.toml` setup to modernize build via [hatch](https://github.com/pypa/hatch). This centralizes the project dependencies and derives package versioning directly from git tags. Intermediate packages built from commits after the latest tag (e.g., `0.2.0`) will have an extra long string, e.g., `0.2.1.dev178+g16cfc3e.d20231223` where the version is a guess at the next version and the hash gives reference to the commit. This means that developers bump versions entirely by tagging a new version with git (or more likely by drafting a new release on the [GitHub release page](https://github.com/MPoL-dev/MPoL/releases)). 
+- Removed `setup.py`.
+- TOML does not support adding keyed entries, so creating layered build environments of default, `docs`, `test`, and `dev` as we used to with `setup.py` is laborious and repetitive with `pyproject.toml`. We have simplified the list to be default (key dependencies), `test` (minimal necessary for test-suite), and `dev` (covering everything needed to build the docs and actively develop the package).
 - Removed custom `spheroidal_gridding` routines, tests, and the `UVDataset` object that used them. These have been superseded by the TorchKbNuFFT package. For reference, the old routines (including the tricky `corrfun` math) is preserved in a Gist [here](https://gist.github.com/iancze/f3d2769005a9e2c6731ee6977f166a83).
 - Changed API of {class}`~mpol.fourier.NuFFT`. Previous signature took `uu` and `vv` points at initialization (`__init__`), and the `.forward` method took only an image cube. This behaviour is preserved in a new class {class}`~mpol.fourier.NuFFTCached`. The updated signature of {class}`~mpol.fourier.NuFFT` *does not* take `uu` and `vv` at initialization. Rather, its `forward` method is modified to take an image cube and the `uu` and `vv` points. This allows an instance of this class to be used with new `uu` and `vv` points in each forward call. This follows the standard expectation of a layer (e.g., a linear regression function predicting at new `x`) and the pattern of the TorchKbNuFFT package itself. It is expected that the new `NuFFT` will be the default routine and `NuFFTCached` will only be used in specialized circumstances (and possibly deprecated/removed in future updates). Changes implemented by [#232](https://github.com/MPoL-dev/MPoL/pull/232).
 - Moved "Releasing a new version of MPoL" from the wiki to the Developer Documentation ({ref}`releasing-new-version-label`).

docs/developer-documentation.md

@@ -127,13 +127,11 @@ git fetch --tags
 git checkout tags/v0.2.0
 ```
 
-Otherwise, proceed directly with installing the build dependencies for the documentation with 
+Otherwise, proceed directly with installing the development dependencies
 ```
-$ pip install ".[docs]"
+$ pip install ".[dev]"
 ```
 
-Alternatively, you could start from `[dev]` list, since it is a superset of `[docs]`.
-
 ### Building the Documentation
 
 To build the documentation, change to the `docs/` folder and run
@@ -202,7 +200,7 @@ To write a tutorial, we suggest copying and rename one of the existing `.md` fil
 
 When done, add a reference to your tutorial in the table of contents in `docs/index.rst`. E.g., if your contribution is the `ci-tutorials/gridder.md` file, add a `ci-tutorials/gridder.md` line. Then, you should be able to build the documentation as normal (i.e., `make html`) and your tutorial will be included in the documentation. The MyST-NB plugin is doing the work behind the scenes.
 
-If your tutorial requires any extra build dependencies, please add them to the `EXTRA_REQUIRES['docs']` list in `setup.py`.
+If your tutorial requires any extra build dependencies, please add them to the `[project.optional-dependencies]["dev"]` list in `pyproject.toml`.
 
 #### Larger tutorials requiring substantial computational resources
 
@@ -231,19 +229,18 @@ If you're thinking about contributing a tutorial and would like guidance on form
 (releasing-new-version-label)=
 ## Releasing a new version of MPoL
 
-To release a new version of MPoL, follow these steps in order:
+To release a new version of MPoL, follow this checklist in order:
 
-1. Ensure all tests are passing on your PR
-    * If tests are passing locally and failing in the GitHub Actions workflows, compare the code dependencies in `setup.py` with your local versions
-2. Ensure the docs build locally without errors or warnings
-3. Update the code version in `__init__`
-4. Update the version history in `changelog.md`
-5. Update the contributors in `CONTRIBUTORS.md`
-6. Update the copyright year and citation in `README.md`
+1. Ensure *all* tests are passing on your PR, both locally and via GitHub Actions.
+    * If tests pass locally but fail in the GitHub Actions workflows, inspect the GitHub Actions workflow logs for clues about missing packages or outdated dependencies.
+2. Ensure the docs build locally without errors or warnings. Check output by opening `docs/_build/html/index.html` with your web browser.
+3. Perform final round of edits documenting the changes since last version in `changelog.md`. If any changes are potentially breaking, suggest how users might change their workflow to incorporate updates.
+4. Check contributors in `CONTRIBUTORS.md` up to date.
+5. Update the copyright year and citation in `README.md`
     * In the citation, update all fields except 'Zenodo', 'doi', and 'url' (the current DOI will cite all versions and the URL will direct to the most recent version)
-7. Merge your PR into `main`
-    * Ensure all tests triggered by the merge pass
-8. Publish a pre-release
-    * Ensure the `pre-release.yml` workflow passes
-9. Publish a (true) release, which will be automatically uploaded to PyPI and archived on Zenodo
-    * Verify this by ensuring the `package.yml` workflow passes
+6. Merge your PR into `main` using the GitHub interface.
+    * A new round of tests will be triggered by the merge. Make sure *all* of these pass.
+7. Go to the [Releases](https://github.com/MPoL-dev/MPoL/releases) page, draft release notes, and publish a pre-release
+    * Ensure the `pre-release.yml` workflow passes.
+8. Publish the true release. GitHub actions will automatically uploaded the built package to PyPI and archive it on Zenodo
+    * Verify this has worked by checking the `package.yml` workflow passed.

pyproject.toml

@@ -1,3 +1,72 @@
 [build-system]
-requires = ["setuptools", "wheel"]
-build-backend = "setuptools.build_meta"
+build-backend = "hatchling.build"
+requires = ["hatchling", "hatch-vcs"]
+
+[project]
+authors = [{ name = "Ian Czekala", email = "[email protected]" }]
+classifiers = [
+    "Programming Language :: Python :: 3",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: OS Independent",
+]
+dependencies = [
+    "numpy",
+    "fast-histogram",
+    "scipy",
+    "torch>=1.8.0",
+    "torchvision",
+    "torchaudio",
+    "torchkbnufft",
+    "astropy",
+]
+description = "Regularized Maximum Likelihood Imaging for Radio Astronomy"
+dynamic = ["version"]
+name = "MPoL"
+readme = "README.md"
+requires-python = ">3.8"
+
+[project.optional-dependencies]
+dev = [
+    "pytest",
+    "pytest-cov",
+    "matplotlib",
+    "requests",
+    "astropy",
+    "tensorboard",
+    "mypy",
+    "frank>=1.2.1",
+    "sphinx>=5.3.0",
+    "jupytext",
+    "ipython!=8.7.0",               # broken version for syntax higlight https://github.com/spatialaudio/nbsphinx/issues/687
+    "nbsphinx",
+    "sphinx_book_theme>=0.9.3",
+    "sphinx_copybutton",
+    "jupyter",
+    "nbconvert",
+    "sphinxcontrib-mermaid>=0.8.1",
+    "myst-nb",
+    "jupyter-cache",
+    "Pillow",
+    "asdf",
+    "pyro-ppl",
+    "arviz[all]",
+]
+test = [
+    "pytest",
+    "pytest-cov",
+    "matplotlib",
+    "requests",
+    "tensorboard",
+    "mypy",
+    "frank>=1.2.1",
+]
+
+[project.urls]
+Homepage = "https://mpol-dev.github.io/MPoL/"
+Issues = "https://github.com/MPoL-dev/MPoL/issues"
+
+[tool.hatch.version]
+source = "vcs"
+
+[tool.hatch.build.hooks.vcs]
+version-file = "src/mpol/mpol_version.py"

src/mpol/__init__.py

@@ -1,2 +1,2 @@
-__version__ = "0.2.1"
-zenodo_record = 10064221
+from mpol.mpol_version import __version__
+zenodo_record = 10064221