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I'm trying to install Meeko in a Python 3.12 virtual environment on a clean Ubuntu 24.04 system. I've run into a couple problems, all related to package dependencies:
- Running `pip install meeko`…
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Python 3.13 is currently in a prerelease status (a first release candidate was released today: https://discuss.python.org/t/python-3-13-0-release-candidate-1-released/59703) and is expected to have a …
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### This Ticket should instead be a discussion based on points raised in comments
I suggested investigating whether we could turn genie_python helper functions into a pip installable package from vcs…
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Hi @miquelduranfrigola
As this is organised now, it basically uses three modules:
- Docking (code embedded within the repository)
- Conformer generation (either from the embedded code in the rep…
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```console
$ uv --version
uv 0.2.35
$ uv pip install --editable '/home/phil/Dev/Python/Packaging, Docs/session-info2'
error: Failed to parse: `/home/phil/Dev/Python/Packaging, Docs/session-info2`
…
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### 🚀 The feature, motivation and pitch
As recommended in https://packaging.python.org/en/latest/tutorials/packaging-projects/
### Alternatives
_No response_
### Additional context
_No response_
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In Fedora many of the dependencies are auto-detected via `%pyproject_buildrequires` and sometimes cmake pinning is included in a projects `[build-system]`.
Just to make such packaging smoother it w…
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I just updated the google doc
https://docs.google.com/document/d/1cQCAmYGc8vbozeqkBzlfzlwiqFQrOh5eJrythVuaJC8
looking forward to porting this over
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similar to https://github.com/colcon/colcon-python-setup-py/issues/56
but this time, setuptools removes: setuptools.extern.packaging
and I get error: `ModuleNotFoundError: No module named 'setuptool…