Skip to content

Repository files navigation

ChemSpectraTestDeployment

Docker container factory for test deployments of ChemSpectra

⚠️ Disclaimer

This setup is for testing purposes only and should not be used in production. Please shut down the container after you're done!

🚀 What is this?

This repository provides a Dockerfile to build a Docker image that allows you to quickly and easily deploy ChemSpectra in a test environment. The content is automatically updated after each new commit on the selected branches.

-> No webhooks are needed! It is easy to set up and you do not require any privileges.

The prebuilt image is available on Docker Hub: mstarman/chem-converter-test:0.0.2

The included docker-compose.yml file demonstrates how to use the image.

🛠️ Getting Started

We provide an installation script that has only been tested on Ubuntu. However, you can also set it up manually in just a few steps

In Chemotion

To include it into a Chemotion instance the Spectra container exposes PROT 4001.

Ubuntu install script

Run:

curl -H 'Cache-Control: no-cache' -O https://raw.githubusercontent.com/StarmanMartin/ChemSpectraTestDeployment/main/setup.sh
chmod +x setup.sh
./setup.sh

By Hand

  1. Environment Variables

    • Copy the .env.sample file from this Repo to .env.

    • Make sure to review and update all environment variables, especially CONVERTER_URL and PROJECT_WEB_PORT.

  2. Converter shared Folder Setup

    • Create a shared directory in the same location as your docker-compose.yml.

    • This directory must contain the following subdirectories (you can also clone them from this repo):

    • Make a text file in the shared directory: APP_BRANCH.txt.

    • Make sure you have the ```pullin/instance/config.py`` from this repo

shared/
   ├── logs/
   ├── pullin/
         └── instance
               └── config.py
   └── APP_BRANCH.txt

Description of each folder:

  • APP_BRANCH.txt: The GIT repo branch for the app. This branch is monitored and if there is a new commit, the server is automatically updated.
  • pullin/: Config files to overwrite existing default config in container

Switching Branches

To change the deployed Converter branch, modify the first line in the APP_BRANCH.txt.

About

Test deployment Docker & Docker Compose for ChemSpectra

Resources

Stars

0 stars

Watchers

0 watching

Forks

Releases

Packages

Contributors

Languages