On-Site Lattice and WebCSD is currently only available to CCDC industrial customers and other invited groups.
This readme contains information required for installation and updates of On-Site Lattice and WebCSD.
Please use the latest version from the release tab https://github.com/ccdc-opensource/on-site-webcsd/releases.
Terms and conditions can be found in the license.md file.
Additional information including user configuration and troubleshooting can be found in the wiki at https://github.com/ccdc-opensource/on-site-webcsd/wiki.
A standard Docker Server and Docker Compose installation is required for installation. This will run on Docker Desktop, however this is not recommended and may require a license.
Access to the CCDC container registry will require a username and password, to get them please contact CCDC Support.
For version 4.0 onwards, a postgres server is required for CSD and Identity databases. The postgres CSD database will be provided via a download link, to get it, please contact CCDC Support.
A valid license key will be required to use the software.
A download of the desired release. Click on the release you want to use, and download the source code zip and unpack.
Recommended requirements for postgres server without Macromolecule Hub:
- Postgres version 14 or newer
- 100GB free hd space
Recommended requirements for postgres server including Macromolecule Hub:
- Postgres version 14 or newer
- 200GB free hd space
Recommended requirements for On-Site Lattice and WebCSD containers:
- 30GB free hd space, 16GB RAM, 8 core CPU.
On-Site Lattice and WebCSD should work with any Linux OS that meets the requirements to run Docker, but official support is provided by CCDC on the following platforms. Note that these match the 2023.3 Desktop release.
- RedHat Enterprise 7.6 or higher, 8 and 9
- CentOS 7.6 or higher
- Rocky Linux 8 and 9
- Ubuntu LTS 20 and 22
We will stop support of RedHat and CentOS 7 at the end of June, 2024, in line with their provider.
On-Site Lattice and WebCSD can be configured to read from in-house databases.
Provided within the installation are sample databases which can be found in the sample-data folder in the root of the installation.
To enable these databases follow:
- Copy and rename the file
docker-compose.sample-On-Site-only-db-config.ymltodocker-compose.db-config.yml - Edit the
volumessection of that file to point to any in-house databases and edit theenvironmentsection to configure the application to recognise these databases.
More information is given in the notes & example sections of the sample file. This acts as an override file which you will have to include in the startup command.
Instructions on setting up CSD-Theory Web can be found in the wiki
After unpacking the release source code onto the server on which the software will be installed you will need to go into the on-site-webcsd directory and copy the environment file sample.env as .env.
Then open the .env file and populate with suitable values.
cd on-site-webcsd
cp sample.env .envYou will need to update the .env file with your licence key and the two passwords you would like to use. Here is an example of the .env file:
CCDC_LICENSING_CONFIGURATION=la-code;123456-123456-123456-123456-123456-123456;
CSD_DB_CONNECTIONSTRING=Server=database-server;Port=5432;Database=csd-database;User Id=postgres;Password=passwordhere
IDENTITY_DB_CONNECTIONSTRING=Server=database-server;Port=5432;Database=csd-identity;User Id=postgres;Password=passwordhere
PLATFORM_PORT=443
PUBLIC_URI=https://csd-software.local
Where stated, some of these variables will be provided by CCDC; all other variables are for the user to generate and set. Once the variables file has been populated, login to the CCDC container registry and bring up the stack:
docker login -u <user> -p <password> ccdcrepository.azurecr.io
# or to be prompted for the password
docker login -u <user> --password-stdin ccdcrepository.azurecr.io
# As of v2.0.0, containers run as non root users. Because of this you will need to run the following in the on-site-webcsd directory:
sudo adduser ccdc --uid=1397
sudo chown -R ccdc:ccdc userdata/
# If you are upgrading from an older version to v4.0.0, ensure the user id is set to 1397
sudo usermod -u 1397 ccdc
# You will also need to ensure the user "ccdc" has read access to any in-house or CSP databases by using the command above on relevant directories.
#Use one of the following commands:
#Use this command if you have no in-house databases and don't want to use macromolecule hub
docker compose up -d
#Use this command if you have in-house databases and don't want to use macromolecule hub
docker compose -f docker-compose.yml -f docker-compose.db-config.yml up -d
#Use this command if you have in-house databases and want macromolecule hub
docker compose -f docker-compose.yml -f docker-compose.macromolecule-hub.yml -f docker-compose.db-config.yml up -d
#Use this command if you have no in-house databases and want macromolecule hub
docker compose -f docker-compose.yml -f docker-compose.macromolecule-hub.yml up -dWhen you have been notified when there is an update available you can download the newest release from the github repository. Oce you have downloaded the new release, ensure the default old files have been removed and any custom configuration files have been moved to the new release directory.
Once the latest installation files have been obtained, to update the software, pull the latest images, and restart the stack. The latest images can be pulled whilst the stack is running and changes will only come into effect upon restarting the stack.
docker compose pull
docker compose down
#Use one of the following commands:
#Use this command if you have no in-house databases and don't want to use macromolecule hub
docker compose up -d
#Use this command if you have in-house databases and don't want to use macromolecule hub
docker compose -f docker-compose.yml -f docker-compose.db-config.yml up -d
#Use this command if you have in-house databases and want macromolecule hub
docker compose -f docker-compose.yml -f docker-compose.macromolecule-hub.yml -f docker-compose.db-config.yml up -d
#Use this command if you have no in-house databases and want macromolecule hub
docker compose -f docker-compose.yml -f docker-compose.macromolecule-hub.yml up -dTo check that the install or update has completed and that all the services are running, run:
docker compose pswhich should show the state of the services to all be Up. If any services have the state Up (unhealthy) or Exit then restart the stack. If the issues persist then please contact CCDC Support.
For more information see the Docker volumes documentation.
To access the On-Site Lattice and WebCSD service locally go to http://localhost in a browser.
If you experience any difficulties with installing or using On-Site Lattice and WebCSD, please contact our support team at support@ccdc.cam.ac.uk who will be happy to assist you.