Install pytraj for development - Amber-MD/pytraj GitHub Wiki
cd /path/to/pytraj/root/folder
# compile Cython pyx files
python setup.py build_ext -i
# install pytraj in developer mode
# Only need to do once
python -m pip install -e .
# Why? Basically if you want to edit `.py` file in pytraj,
# you do not need to do `python setup.py install` again.
# Note: If you edit Cython's `.pyx` file,
# you still need to `python setup.py build_ext -i` again.