Installation

Prerequisite

1. Prerequisite installation COADD is:

• Install conda in Linux by following the steps in [Installing on Linux] (https://docs.conda.io/projects/conda/en/latest/user-guide/install/linux.html).

• Install rdkit pypi overall

2. Database environment

1. create conda environment with:

   conda create --name <env_name>
   

2. activate and install the following:

   • conda install -c anaconda postgresql

   • conda install -c rdkit rdkit-postgresql

   • pg_ctl initdb -D <path>/<your cluster name> eg. pg_ctl initdb -D ~/chem_data (meaning create cluster chem_data under user root)

   • pg_ctl -D <path>/<your cluster name> start

   • CREATE DATABASE databasename with:

     psql databasename
     create extension if not exists rdkit;
     create schema <name>
     

Set up application environment

Create another conda environment

Install all the following packages in the conda environment.

1. conda install -c conda-forge django

2. prerequistion for python-ldap

3. pip install python-ldap

4. pip install django-auth-ldap

5. pip install rdkit-pypi

6. pip install git+https://github.com/rdkit/django-rdkit.git

7. sudo apt-get install postgresql postgresql-contrib sudo apt-get install libpq-dev python3-dev

8. pip install psycopg2

9. for chemical drawing install the following: pip install ipython pip install CairoSVG

10. django-sequences

11. pip install django-model-utils

12. pip install django-filter

13. pip install pdfplumber …