Pypi package for green-grids

[gauravharsha]

Introduced some restructuring for the python repo, added GitHub actions workflow for continuous testing and coverage report for python package. Next step will be to deploy the repo as a PyPI package once #7 is fixed.

[codecov-commenter]

Codecov Report

❌ Patch coverage is 97.11538% with 3 lines in your changes missing coverage. Please review.
✅ Project coverage is 97.05%. Comparing base (2299a37) to head (59c1048).

Files with missing lines	Patch %	Lines
c++/green/grids/common_defs.h	84.61%	2 Missing ⚠️
python/green_grids/sparse_data.py	75.00%	0 Missing and 1 partial ⚠️

Additional details and impacted files

@@             Coverage Diff             @@
##              main       #8      +/-   ##
===========================================
- Coverage   100.00%   97.05%   -2.95%     
===========================================
  Files            8       27      +19     
  Lines          313     1629    +1316     
  Branches         0       60      +60     
===========================================
+ Hits           313     1581    +1268     
- Misses           0       29      +29     
- Partials         0       19      +19     

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[Copilot]

Pull request overview

This PR restructures the Python portion of the repo to be packaged as green-grids, updates imports from the prior sparse_grid layout, and adds CI/coverage scaffolding in preparation for PyPI publishing.

Changes:

• Renamed Python package/module references from sparse_grid to green_grids across library code, tests, scripts, and examples.
• Added initial Python packaging metadata (pyproject.toml) and CI workflow for linting, testing, and coverage upload.
• Added/updated basic utilities and basis abstractions under python/green_grids/.

Reviewed changes

Copilot reviewed 21 out of 25 changed files in this pull request and generated 9 comments.

Show a summary per file

File	Description
python/tests/test_utils.py	Updates test imports to green_grids.
python/tests/test_transform.py	Updates test imports to green_grids.
python/tests/test_sparse_data.py	Updates test imports to green_grids.
python/tests/test_repn_transformer.py	Updates test imports to green_grids.
python/tests/test_module_functions.py	Updates test imports to green_grids.
python/tests/test_generator.py	Updates test imports to green_grids.
python/tests/test_basis.py	Updates test imports to green_grids.
python/tests/OUTPUT	Adds a captured pytest run output (currently includes failures).
python/green_grids/utils.py	Adds HDF5 dict save/load utilities and checkreal.
python/green_grids/transform.py	Updates imports to green_grids.
python/green_grids/sparse_data.py	Updates imports to green_grids.
python/green_grids/repn/transformer.py	Updates imports to green_grids.
python/green_grids/repn/ir.py	Updates imports and tweaks IR basis setup (default grid assignment formatting).
python/green_grids/repn/generator.py	Updates imports to green_grids.
python/green_grids/repn/chebyshev.py	Updates imports to green_grids.
python/green_grids/repn/basis.py	Introduces a new SparseBasis abstraction and sampling/transform helpers.
python/green_grids/__init__.py	Updates top-level imports to green_grids and provides public API helpers.
python/generate.py	Updates script imports to green_grids.
python/examples/generate_and_transform.ipynb	Updates example imports and notebook metadata.
pyproject.toml	Adds packaging metadata and scikit-build/cibuildwheel/coverage config.
README.md	Adds installation guidance and updates dependency list.
.gitignore	Adds Python build/test artifacts to ignore list.
.github/workflows/python_app.yaml	Adds CI workflow for linting, testing, and coverage upload.
.github/codecov.yml	Updates ignore rules to exclude Python tests from coverage.

Comments suppressed due to low confidence (3)

python/green_grids/init.py:2

• While updating imports to green_grids, there are still public docstrings below that reference the old sparse_grid module name (and have a tranformer typo). Since this file defines the public API, please update those references so users reading help(green_grids.*) get accurate guidance.
  python/green_grids/repn/generator.py:3
• This module still emits the warning string "Bose (Fermi) must have even (odd) points" later in the file, which is misleading (Fermi should be even, Bose should be odd). Since this file was touched in the rename, please fix the warning text here too (and ideally avoid duplicating this validation logic by delegating to SparseBasis.check_ncoeff).
  python/green_grids/repn/ir.py:16
• This mutates sparse_ir global state (PiecewiseLegendreFT._DEFAULT_GRID) inside the Basis constructor, which can lead to hard-to-debug cross-test interference and non-local behavior (every instantiation resets the global). Prefer moving this to module import time (guarded so it runs once) or making it configurable without touching a private global.

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Pull request overview

Copilot reviewed 28 out of 46 changed files in this pull request and generated 8 comments.

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Pull request overview

Copilot reviewed 28 out of 46 changed files in this pull request and generated 5 comments.

Comments suppressed due to low confidence (2)

python/green_grids/init.py:6

• __all__ only exports __version__, even though this module defines the main public API (get_generator, get_transformer, etc.). This makes from green_grids import * unexpectedly drop the functional API; consider either removing __all__ or including the intended public symbols.
  python/green_grids/sparse_data.py:287
• Only PairedSparseData.save_hdf5() writes the __grids_version__ file attribute; SparseData.save_hdf5() does not. If version-gating is enforced on the C++ side, single-grid files produced by Python may be unversioned and fail (or, with the current C++ fallback, be treated as compatible). Consider writing __grids_version__ for SparseData.save_hdf5() as well to keep file formats consistent.

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[Copilot]

Pull request overview

Copilot reviewed 29 out of 47 changed files in this pull request and generated 4 comments.

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[iskakoff]

Have couple minor questions, otherwise looks good

[iskakoff]

Not sure about that. If you read file that does not have version why the current version should be set as GRIDS_MIN_VERSION when it is clearly predates GRIDS_MIN_VERSION?

[gauravharsha]

Falling back to 0.2.4 simply to keep a value that is consistent with the previous release tag: https://github.com/Green-Phys/green-grids/releases/tag/v0.2.4

Do you have any alternative suggestion? If we set the grids version to an empty string or, say, "0.0.0", then that will trigger error with green::grids::CheckVersion

[gauravharsha]

Merging for now; alternative ideas for version fallback can be implemented later.