ChemReg 2.0 User Interface

Developer Setup

We are using the vuejs webpack template. Our target browser is Chrome, you may experience problems with other browsers.

Have these packages installed

NodeJS v13.7.0 Check with node -v
NPM v6.13.6 NPM is installed with NodeJS. Check with npm -v

To get started:

Launch Ketcher

1. navigate to location of Dockerfile cd ketcher/
2. docker build --tag ketcher .
3. docker run -d -p xxxx:8002 --name ketcher ketcher where xxxx is the port number that you want to serve Ketcher.
4. Ensure that you have an .env file with the Ketcher URL set.
   • VUE_APP_KETCHER_URL=http://localhost:xxxx

Launch MarvinJS

To get MarvinJS running in the application:

1. Go to Chemaxon and create an account here.
2. Pull the docker image from Chemaxon
   • Go here.
   • Click on the "DOCKER" tab near the middle of the page.
   • This link will give you the commands to pull the image after you log into the repository with your public API key, then
   • docker pull hub.chemaxon.com/cxn-docker-release/chemaxon/mjs-webservice:latest
3. The user license is pinned to the #workshop_chemreg channel in Slack, download it from there and put it in the "marvin" directory at the root of this repository.
4. To build the image, use the Dockerfile in the "marvin" directory:
   • cd marvin
   • docker build --tag marvin .
5. Run the Dockerfile as a container
   • docker run -d -p xxxx:8080 --name marvin marvin
   • where xxxx is the port number that you want to serve MarvinJS.
6. Ensure that you have an .env file with the Marvin URL set at port xxxx.
   • VUE_APP_MARVIN_URL=http://localhost:xxxx

Clone the VueJS source repository

Then:

git clone https://github.com/Chemical-Curation/chemcurator_vuejs.git 
cd chemcurator_vuejs
npm install

Make a copy of template.env in project root and call it .env.

npm run serve

Compiles and minifies for production

npm run build

Run your unit tests

npm run test:unit

Run your end-to-end tests

npm run test:e2e

Lints and fixes files

npm run lint

To test out new features or deploy in production:

1. pull latest code
2. docker build --no-cache . -t chemreg
3. docker run -p xxxx:8080 -d -l chemreg-ui --restart=unless-stopped chemreg <- where xxxx is any port you want the container to run on