Installation

This will install all dependencies of critcatworks, including fireworks, a cp2k-parser, cluskit, a.o. For setting up your own mongodb database, please consult www.mongodb.com .

0. virtual environment recommended

virtualenv --python=python3 critcatenv`
source critcatenv/bin/activate

1. Download this repository

2. Go inside this repository cd critcatworks

3. slightly modified NOMAD CP2K parser Installation

pip install numpy cython
cd nomad_parser/python-common
pip install -r requirements.txt
pip install -e .

cd ../parser-cp2k
pip install -e .

4. critcatworks installation

cd ../../
python3 setup.py install

5. Deactivate virtual environment deactivate

Steps 3 and 4 are automatically executed by ./easily_install_all.sh