MolEvolvR Stack

This repo contains the implementation of the MolEvolvR stack, consisting of:

• frontend: the frontend web app, written in React
• backend: a backend written in Plumber
• cluster: the containerized SLURM "cluster" on which jobs are run
• services: a collection of services on which the stack relies:
  • postgres: configuration for a PostgreSQL database, which stores job information

Most of the data processing is accomplished via the MolEvolvR package, available at https://github.com/JRaviLab/molevolvr. The stack provides a user-friendly interface for accepting and monitoring job progress, and orchestrates running the jobs on SLURM. The jobs themselves call methods of the package at each stage of processing.

Prerequisites

To run the stack, you'll need to install Docker and Docker Compose.

Setup

1. Clone this repository: git clone https://github.com/JRaviLab/molevolvr2.0.git then cd molevolvr2.0 to move into your cloned directory.

2. Copy .env.TEMPLATE to .env and fill in the necessary values. You should supply a random password for the POSTGRES_PASSWORD variable and any other _PASSWORD fields that are blank. Of note is the DEFAULT_ENV variable, which gives run_stack.sh a default environment in which to operate; in development, this should be set to dev.