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@karmachoi
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@karmachoi karmachoi commented Oct 29, 2025

A new CMake option -DOQP_PYTHON_VERSION= has been introduced, allowing users to specify the desired Python version for the build process.
With this, I think we can allow pip install dftd4 as default.

Usage:
To build with Python 3.11, include the following flag in your CMake command:

-DOQP_PYTHON_VERSION=3.11

@karmachoi karmachoi requested a review from mohsenkor October 29, 2025 12:45
@mohsenkor
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CMake already detects the Python version. Since DFTB4 is installed via pip install dftb4, I don’t see why we need to add a new CMake option to force a specific Python version.

@karmachoi
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dftd4 does not work with recent python. Current cmake only detects the most recent version. When you have multiple versions of python, it is not possible to specify a particular one.

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3 participants