For Hoomd 3, pybind11 and eigen3 must be installed. You also need python3.

Use command :

pip install pybind11
sudo port install eigen3

To check version of python installed, use:

python --version

to find path where Python is installed.

You can try: whereis python and whereis python3 in the terminal.

On Mac

find /  -name "*bin*python*" -perm +111 -type f

On Linux

find / -executable -type f -name "*bin*python*"

This will show you much more than you asked for, but will also contain all python executables. On a mac, there are usually at least 3 or 4. Be careful to distinguish /usr/bin/python3 from /usr/local/bin/python3.

Add this line to the ~/.bash_profile (on some systems also called ~/.profile or ~/.bashrc) if hoomd-blue should be found by python without specifying sys.path in scripts:

export PYTHONPATH=~/programs/hoomd-2.6.0/:$PYTHONPATH

If you have multiple versions of hoomd and you are changing back and forth, it might be more convenient and more obvious if you specify the sys.path at the top of each script explicitly:

import sys
sys.path.insert(0,"/data/programs/hoomd-2.8.0/")
import hoomd