Introduce pip package for python interface by lisitsyn · Pull Request #118 · lisitsyn/tapkee

lisitsyn · 2026-02-07T14:12:49Z

Summary

Adds pip install support for tapkee with CI that builds wheels for all major platforms and architectures.

Packaging lives in packages/python/ to prepare the repo for multiple packages.

packages/python/pyproject.toml: scikit-build-core backend, cibuildwheel config, package metadata (Python 3.11+), cmake.source-dir points to repo root
wheels.yml: cibuildwheel CI building on every push/PR, auto-publish to PyPI on v* tags
CMakeLists.txt: BUILD_CLI option to decouple CLI from Python extension build, replaced pytapkee rename hack with set_target_properties, proper install() with component filter
Makefile: pip-package target to build a wheel locally via pip wheel packages/python -w dist
Removed nanobind.yml: superseded by wheels.yml

Wheel matrix

Platform	Arch	Runner	Dependencies
Linux	x86_64	ubuntu-latest (manylinux_2_28)	Eigen & fmt from source, ARPACK from EPEL
Linux	aarch64	ubuntu-24.04-arm (native)	Eigen & fmt from source, ARPACK from EPEL
macOS	arm64	macos-latest	Homebrew
Windows	AMD64	windows-latest	vcpkg (cached)

Build speed optimizations

Native ARM runner instead of QEMU emulation
Python 3.11+ only (3.9/3.10 are EOL)
Free-threaded Python builds skipped
vcpkg binary cache on Windows

Things to consider

Windows: vcpkg-based ARPACK/Eigen/fmt — may need tweaking if FindArpack.cmake doesn't pick up vcpkg paths
PyPI publish: uses trusted publishing (OIDC) — needs to be configured on pypi.org before the first v* tag push
Version: hardcoded 0.1.0 — worth switching to dynamic versioning (e.g., from git tags)?

Test plan

Linux x86_64 wheels build and pass smoke test
Linux aarch64 wheels build and pass smoke test
macOS arm64 wheels build and pass smoke test
Windows AMD64 wheels build and pass smoke test
pip install . works locally (verified on macOS arm64)
Existing CLI build (BUILD_CLI=ON, default) still works
Existing Linux/macOS/Windows CI unaffected

🤖 Generated with Claude Code

- Add pyproject.toml with scikit-build-core backend and cibuildwheel config - Add wheels.yml workflow building wheels for Linux (x86_64, aarch64), macOS (x86_64, arm64), and Windows (AMD64) on every push/PR - Includes PyPI publish job triggered on v* tags (trusted publishing) - Refactor CMakeLists.txt: add BUILD_CLI option to decouple CLI from Python extension build, replace pytapkee rename hack with set_target_properties, add install target with component filter - Remove superseded nanobind.yml workflow Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

lisitsyn · 2026-02-07T14:15:36Z

CMakeLists.txt

-	message(FATAL_ERROR \"Error renaming file from \${SOURCE_FILE} to \${DEST_FILE}\")
-endif()")
-  message(STATUS "Detecting and configuring nanobind - done")
+	install(TARGETS pytapkee LIBRARY DESTINATION . COMPONENT python)


hey @iglesias, Claude suggested it might be replaced with the target_name thing.. I understand the renaming thing had been there for a reason but I am not sure

Linux: force manylinux_2_28 image (GCC 14 for C++23), install Eigen 3.4 from source since EPEL only has 3.3.x. macOS: set MACOSX_DEPLOYMENT_TARGET per runner to match Homebrew library targets (13.0 for macos-13, 15.0 for macos-latest). Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

EPEL fmt 6.2.1 fmt::fmt-header-only target doesn't properly define FMT_HEADER_ONLY, causing undefined symbol at runtime. Install fmt 10.2.1 from source instead. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

macos-13 runners are no longer available on GitHub Actions. ARM64 wheels work on Intel Macs via Rosetta 2. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

- Use native ARM runner (ubuntu-24.04-arm) instead of QEMU emulation - Drop Python 3.9/3.10 (EOL), bump requires-python to 3.11+ - Skip free-threaded Python builds (cp*t-*) - Cache vcpkg installed packages on Windows Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

lisitsyn · 2026-02-07T14:55:33Z

packages/python/pyproject.toml

+license = "BSD-3-Clause"
+authors = [
+    { name = "Sergey Lisitsyn", email = "lisitsyn@hey.com" },
+    { name = "Fernando José", email = "fernando.iglesiasg@gmail.com" },


@iglesias also, is that the correct email to be used here and would you like to be in the list?

sure, it can be left as is, I don't mind it

MSVC linker can't resolve bare 'arpack' to 'libarpack.lib' (vcpkg naming). Use ${ARPACK_LIB} (full path from FindArpack) everywhere. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

parpack is the MPI parallel wrapper and doesn't contain the core ARPACK symbols (dsaupd_, dseupd_). Search for arpack first. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

lisitsyn · 2026-02-07T15:49:09Z

src/cmake/FindArpack.cmake

 SET(ARPACK_SEARCH_PATHS ${ARPACK_DIR})

-FIND_LIBRARY(ARPACK_LIB NAMES parpack arpack PATHS ${ARPACK_SEARCH_PATHS})
+FIND_LIBRARY(ARPACK_LIB NAMES arpack parpack PATHS ${ARPACK_SEARCH_PATHS})


Nice one detected by Claude as the order makes parpack the main library to link which leads to linking errors in some cases

Nice. Worth adding a test to avoid making the same mistake again?

Ah I missed one part. It now links with ARPACK_LIB so it should be alright now. Before the fix it was finding 'parpack' but linking to 'arpack' in some cases.

The Windows wheel built successfully but failed at test time with "DLL load failed" because ARPACK/OpenBLAS/gfortran DLLs from vcpkg were not bundled into the wheel. Add delvewheel repair-wheel-command pointing at the vcpkg bin directory. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

Prepares the repo for multiple packages by relocating pyproject.toml to packages/python/. Updates CI workflow and adds Makefile target. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

Adds PYTHON variable (defaults to `python`, overridable via `make PYTHON=python3.12`) and replaces all bare `python` / `pip` calls with $(PYTHON) / $(PYTHON) -m pip. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

Adds a Makefile target that builds the wheel, installs it in a temporary venv, and runs a smoke test. The wheels CI now runs this as a gate before publishing. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

- Include LICENSE in wheels via license-files - Add Repository and Issues URLs for PyPI sidebar - Add BSD License classifier - Gitignore dist/ and .venv-test/ Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

The SPDX license expression (PEP 639) is incompatible with both license-files globs outside the project dir and License:: classifiers. The SPDX field alone is sufficient for PyPI. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

Adds a README.md tailored for the PyPI page with install instructions, usage example, supported methods, and citation info. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

lisitsyn · 2026-02-09T13:08:37Z

Seems it is ready to be merged.

lisitsyn commented Feb 7, 2026

View reviewed changes

lisitsyn and others added 4 commits February 7, 2026 14:23

fix: install fmt from source on Linux

d711f0d

EPEL fmt 6.2.1 fmt::fmt-header-only target doesn't properly define FMT_HEADER_ONLY, causing undefined symbol at runtime. Install fmt 10.2.1 from source instead. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

fix: drop macos-13 x86_64 wheel (runner retired)

aafe6ac

macos-13 runners are no longer available on GitHub Actions. ARM64 wheels work on Intel Macs via Rosetta 2. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

lisitsyn commented Feb 7, 2026

View reviewed changes

lisitsyn changed the title ~~RFC: pip packaging with cross-platform wheel builds~~ Introduce pip package for python interface Feb 7, 2026

lisitsyn and others added 2 commits February 7, 2026 15:26

fix: use full ARPACK library path for Windows compatibility

cae402b

MSVC linker can't resolve bare 'arpack' to 'libarpack.lib' (vcpkg naming). Use ${ARPACK_LIB} (full path from FindArpack) everywhere. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

fix: prefer libarpack over libparpack in FindArpack

e33e525

parpack is the MPI parallel wrapper and doesn't contain the core ARPACK symbols (dsaupd_, dseupd_). Search for arpack first. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

lisitsyn commented Feb 7, 2026

View reviewed changes

lisitsyn and others added 8 commits February 7, 2026 18:33

refactor: move pip packaging into packages/python/

6dbb0d8

Prepares the repo for multiple packages by relocating pyproject.toml to packages/python/. Updates CI workflow and adds Makefile target. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

refactor: parametrize python in Makefile and use python -m pip

044e38b

Adds PYTHON variable (defaults to `python`, overridable via `make PYTHON=python3.12`) and replaces all bare `python` / `pip` calls with $(PYTHON) / $(PYTHON) -m pip. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

fix: version

f3364b6

feat: add test-pip-package target and run it in CI

fb52dbb

Adds a Makefile target that builds the wheel, installs it in a temporary venv, and runs a smoke test. The wheels CI now runs this as a gate before publishing. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

chore: prepare package metadata for PyPI publishing

8cb3c6a

- Include LICENSE in wheels via license-files - Add Repository and Issues URLs for PyPI sidebar - Add BSD License classifier - Gitignore dist/ and .venv-test/ Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

docs: add PyPI long description for Python package

520166b

Adds a README.md tailored for the PyPI page with install instructions, usage example, supported methods, and citation info. Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>

lisitsyn merged commit 7e35862 into main Feb 9, 2026
14 checks passed

lisitsyn deleted the pip-packaging branch February 15, 2026 11:45

Provide feedback

Saved searches

Use saved searches to filter your results more quickly

Introduce pip package for python interface#118

Introduce pip package for python interface#118
lisitsyn merged 15 commits intomainfrom
pip-packaging

lisitsyn commented Feb 7, 2026 •

edited

Loading

Uh oh!

lisitsyn Feb 7, 2026

Uh oh!

lisitsyn Feb 7, 2026

Uh oh!

iglesias Feb 8, 2026

Uh oh!

lisitsyn Feb 7, 2026

Uh oh!

iglesias Feb 8, 2026

Uh oh!

lisitsyn Feb 8, 2026

Uh oh!

lisitsyn commented Feb 9, 2026

Uh oh!

Uh oh!

Reviewers

Assignees

Labels

Projects

Milestone

Development

Uh oh!

2 participants

Conversation

lisitsyn commented Feb 7, 2026 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Summary

Wheel matrix

Build speed optimizations

Things to consider

Test plan

Uh oh!

lisitsyn Feb 7, 2026

Choose a reason for hiding this comment

Uh oh!

lisitsyn Feb 7, 2026

Choose a reason for hiding this comment

Uh oh!

iglesias Feb 8, 2026

Choose a reason for hiding this comment

Uh oh!

lisitsyn Feb 7, 2026

Choose a reason for hiding this comment

Uh oh!

iglesias Feb 8, 2026

Choose a reason for hiding this comment

Uh oh!

lisitsyn Feb 8, 2026

Choose a reason for hiding this comment

Uh oh!

lisitsyn commented Feb 9, 2026

Uh oh!

Uh oh!

Reviewers

Assignees

Labels

Projects

Milestone

Development

Uh oh!

2 participants

lisitsyn commented Feb 7, 2026 •

edited

Loading