# docker-postgres-rdkit

**Repository Path**: rockgu/docker-postgres-rdkit

## Basic Information

- **Project Name**: docker-postgres-rdkit
- **Description**: No description available
- **Primary Language**: Unknown
- **License**: MIT
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2021-09-23
- **Last Updated**: 2021-09-23

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# PostgreSQL Docker Image with RDKit Cartridge

This is a PostgreSQL Docker image with the RDKit cartridge installed.

This image inherits from the [official postgres image](https://hub.docker.com/_/postgres/), and therefore has all the same environment variables for configuration, and can be extended by adding entrypoint scripts to the `/docker-entrypoint-initdb.d` directory to be run on first launch.

## Running

Start Postgres server running in the background:

    docker run --name mypostgres -p 5432:5432 -e POSTGRES_PASSWORD=mypassword -d mcs07/postgres-rdkit

Or run with an application via Docker Compose:

```yaml
services:

  db:
    image: mcs07/postgres-rdkit
    restart: always
    environment:
      POSTGRES_PASSWORD: mypassword
    volumes:
      - /path/to/pgdata:/var/lib/postgresql/data

  adminer:
    image: adminer
    restart: always
    ports:
      - 8080:8080
```

This image exposes port 5432 (the postgres port), so standard container linking will make it automatically available to the linked containers.

## Environment Variables

- `POSTGRES_PASSWORD`: Superuser password for PostgreSQL.
- `POSTGRES_USER`: Superuser username (default `postgres`).
- `POSTGRES_DB`: Default database that is created when the image is first started.
- `PGDATA`: Location for the database files (default `/var/lib/postgresql/data`).

See the [official postgres image](https://hub.docker.com/_/postgres/) for more details.

## Building

A multi-stage docker build is used to produce a lightweight production image without all the build dependencies. This image uses [mcs07/rdkit](https://github.com/mcs07/docker-rdkit) as an earlier build stage to provide the RDKit libraries.

To build, run:

    docker build -t postgres-rdkit .