XChem Business Knowledge Unit. Service, Client, API, persistent store.
Project description
xchembku
XChem Business Knowledge Unit. Service, Client, API, persistent store.
Installation
::
pip install xchembku
xchembku --version
Documentation
See https://www.cs.diamond.ac.uk/xchembku for more detailed documentation.
Building and viewing the documents locally::
git clone git+https://gitlab.diamond.ac.uk/scisoft/bxflow/xchembku.git
cd xchembku
virtualenv /scratch/$USER/venv/xchembku
source /scratch/$USER/venv/xchembku/bin/activate
pip install -e .[dev]
make -f .xchembku/Makefile validate_docs
browse to file:///scratch/$USER/venvs/xchembku/build/html/index.html
Topics for further documentation:
- TODO list of improvements
- change log
.. Anything below this line is used when viewing README.rst and will be replaced when included in index.rst
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