Dear colleagues,
I'm trying to install AQuaRef. However, I'm struggling with running
`bash config/update_phenix.sh aimnet2` which is part of `bash
build_into_phenix.sh aimnet2`. This script wants to install the python
package torch-cluster. However, I'm getting the error:
/opt/phenix/phenix-dev-5480/conda_base/lib/python3.9/site-packages/torch/include/torch/csrc/python_headers.h:12:10:
fatal error: Python.h: No such file or directory
        12 | #include <Python.h>
           |         ^~~~~~~~~~
     compilation terminated.
     error: command '/usr/bin/gcc' failed with exit code 1
     [end of output]
I'm getting the same error when I tried to install only this package
using the command `qrefine.python -m pip install torch-cluster`.
I have a laptop with Ubuntu 22.04. I have all the usual development
packages installed (build-essential, linux-headers, gcc, g++, ...).
According Python, I have libpython3-dev, libpython3.10-dev, python3-dev,
python3.10-dev. I can see that qrefine.python has a version of 3.9, so I
also installed libpython3.9-dev, python3.9-dev and python3.9-distutils
from ppa:deadsnakes/ppa but it did not help. I am also attaching a full
log from the torch-cluster installation. It seems that the package torch
has been installed successfully in prior.
Do you have please an idea what is wrong and how to fix it?
Thank you.
Martin
