Installation¶
To install camparitraj during development run.
pip install .
Dependencies¶
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 mdtraj
If installed from source, these are included in the dependency tree defined in setup.py
so in principle should not cause any issues.