To install camparitraj during development run.
pip install .
camparitraj has a number of standard dependencies that we suggest should be installed in the following order.
numpy - core numerical computing algorithms
scipy - core scientific computing algorithms
pandas - core data structure (required by
mdtraj but not always included as a dependency)
mdtraj - underlying trajectory reading and representation is done by
If installed from source, these are included in the dependency tree defined in
setup.py so in principle should not cause any issues.