Metadata-Version: 2.1
Name: rp3-cache
Version: 1.1
Summary: Cache to dope the result retrieval from reaction rules, to be used with RetroPath 3.0
Home-page: https://github.com/brsynth/rp3_cache
Author: Thomas Duigou
Author-email: thomas.duigou@inra.fr
License: UNKNOWN
Description: # Database based cache to dope data retrieval for RetroPath 3
        
        Here it is a two components cache system to dope the result retrieval from reaction rules
        results, to be used with RetroPath 3.0. The 2 components are:
        
        - A python module to be imported in RetroPath 3.0 
        - A Mongo database, which should be started independently (see "How to run the database in
        the background")
        
        Notice : at reading time, some of following information might be deprecated!
        
        ## Needed components
        
        - docker : https://docs.docker.com/install/
        - docker-compose : https://docs.docker.com/compose/install/
        - conda : https://docs.conda.io/projects/conda/en/latest/user-guide/install/
        
        ## Setting up python environment
        
        Basically: one needs a conda environment with following packages:
        - rdkit
        - pymongo
        - pytest
        
        ```bash
        conda create --name myenv python=3.6
        source activate myenv
        conda install --channel rdkit rdkit=2018.09.1.0
        conda install --channel conda-forge pytest
        conda install pytest
        conda install pymongo
        conda install pyyaml
        ```
        
        ## Install as a packages
        
        ```bash
        pip install -e .
        ```
        
        
        ## How to run the database service in the background
         
        ```bash
        docker-compose -f service/run/mongo.yml up  # Or 'up -d' to start in the background
        ```
         
        ## Q&A
        
        - Where are stored the db files ? In a named docker data volume, see `service/run/*yml` file.
        
        
        ## How to cite
        
        Please cite: _to be completed_
        
        
        ## License
        
        See LICENSE file
        
Platform: UNKNOWN
Requires-Python: >=3.6
Description-Content-Type: text/markdown
