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glotzerlab / hoomd-blue

Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
http://glotzerlab.engin.umich.edu/hoomd-blue
BSD 3-Clause "New" or "Revised" License
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Incorrect Pybind Version in `install-prereq-headers.py` Script #1910

Closed pietro-sillano closed 1 month ago

pietro-sillano commented 1 month ago

Hello,

I’m compiling HooMD from source on an HPC cluster, and I encountered a potential issue.

I followed the installation guide using a Python virtual environment and ran the install-prereq-headers.py script. Since my environment didn’t have Pybind configured, the script prompted me to install it. However, the script downloaded Pybind version 2.10.1 instead of the required version 2.12 for HooMD.

I recommend updating the script (specifically around line 220) to reference the correct Pybind version (2.12).

Thanks!

Platform

Linux

Installation method

Compiled from source

HOOMD-blue version

4.8.3

Python version

3.10.12

joaander commented 1 month ago

I recently revised the build documentation and removed install-prereq-headers.py: #1909