On Wed, Mar 11, 2026, Zihao Bai via AMBER wrote:
>
>AmberTools25 recently encountered a compilation error. After investigation,
>it appears that the latest Miniconda release ships with Python 3.13, which
>conflicts with the required NumPy version (1.26.4).
You are correct: the default python for MiniForge3 recently jumped to python
3.13. The simplest change is this:
In the ambertools25_src/cmake/UseMiniconda.cmake file, at about line 166
(right before the "pip install pip --upgrade" line), add these two lines:
# following is needed to continue use numpy=1.26.4:
execute_process(COMMAND ${CONDA} install -y python=3.12)
You will then need to re-run the run_cmake script. This will pin the python
used by Amber to version 3.12.
As others have noted, it is possible set up your own python environment,
avoiding the UseMiniconda.cmake file. But this option is for folks who
really know what they are doing.
Thanks for the report....dac
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Received on Wed Mar 11 2026 - 08:30:02 PDT
