cctk is easy to install! It should work on any system where Python works.
With Python 3.7 or later, type:
pip install cctk
If you don’t have
pip or virtual environments available on your system, then we recommend installing Anaconda first:
Go to https://www.anaconda.com/distribution/. Download the Python 3 installer appropriate to your system and run it.
Create a virtual environment to use with cctk:
conda create --name cctk python=3.8
Now activate the virtual environment:
conda activate cctk
To use cctk, you will need to place this command at the beginning of your Python scripts:
The documentation contains many examples of how to write cctk scripts.
cctk is undergoing active development. To upgrade to the latest stable release:
pip install --upgrade cctk
To install the development version, which may be unstable, run:
pip install --upgrade email@example.com:ekwan/cctk.git@master
Alternatively, clone the repository. Then, from within the repository folder, run:
pip install --upgrade .
If you want to read the cctk documentation locally, you can build it by going to the docs folder and typing:
This command will require the
sphinx-bootstrap-theme packages to be installed first.
Once generated, the documentation will be available locally at:
If there is a problem building, trying running
make clean first.
These operations should be run from the main cctk repo directory. Test code is stored in the
To run a single unit test:
python -m unittest test.test_molecule.TestMolecule.test_dihedral
To run all the tests:
pythom -m unittest discover