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bug: PyPI wheels are not self-contained #125

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Description

@SYMSCAE

Problem

The wheels published on PyPI cannot be imported in a clean venv. They only work in a conda env that already has libobjcryst and boost installed.

     $ uv venv -p 3.13 && uv pip install pyobjcryst==2026.1.0
     $ python -c "import pyobjcryst.crystal"
     ImportError: libObjCryst.so: cannot open shared object file: No such file or directory

The nanobind branch partly solves the issue but the release workflow need to be altered.

Proposed solution

Build wheels with cibuildwheel instead of the release-scripts conda build similar to diffpy/diffpy.srreal#103

Activity

  1. sbillinge commented on Nov 7, 2026

    @sbillinge
    Contributor

    It may be time to make this as a reusable build script and call it from srreal and from pyobjcryst @SYMSCAE.

    Also, please work from the nanobind branch that we are about to merge to main. This will be the production branch, and we also want as many eyes on it to see any issues before we merge it. We would like a new pyobjcryst release in the next week or so, and then have srreal work with that version

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