Starting the SEAMM GUI

Attention

The docker images are large (~ 1 GB), and may take some time to download. The first time you run a part of SEAMM, it will take some time to start up, as the image is downloaded and unpacked. Subsequent starts will be faster both because the images are cached on disk and because the various images for SEAMM share a common base image.

MacOS

If you are using MacOS you can install an application for the SEAMM GUI. Download SEAMM.zip and unzip it in your personal Applications folder – the one insde your home directory. You can do this in Finder by dragging the file to the Applications directory under your home folder. Then double-click on SEAMM.zip to expand it, creating SEAMM.app. You can then double-click on SEAMM.app to start the SEAMM GUI. You can also drag the SEAMM.app to your dock to make it easier to start in the future.

Note

If you are using MacOS, you will need to install the XQuartz X server. You can download and install it from the XQuartz website. Once you have installed XQuartz, you will need to log out and log back in to your computer. You will also need to start XQuartz and go to the preferences. In the preferences, go to the “Security” tab and check the box that says “Allow connections from network clients”. You will need to restart XQuartz after making this change.

You will also need to allow applications to connect to the X server. You can do this by running the following command in an xterm window:

xhost + 127.0.0.1

You will need to do this each time you start XQuartz. If you want it to run automatically, add a line with xhost + 127.0.0.1 to the file ~/.xinitrc.d/50-xhost.sh. You may need to create the directory and file.

Linux

You can make an alias in your shell to start the SEAMM GUI. Add the following line to your ~/.bashrc file:

alias SEAMM='docker run --pull always --rm --name SEAMM --env "DISPLAY=host.docker.internal:0" --network seamm-network -v ~/SEAMM:/root/SEAMM -v ~/.seamm.d:/root/.seamm.d ghcr.io/molssi-seamm/seamm:latest &'

You can then start the SEAMM GUI by typing SEAMM in a terminal window.

Windows

You can make a shortcut to start the SEAMM GUI. Right-click on the desktop and select “New” and then “Shortcut”. In the dialog box that appears, enter the following command:

C:\Windows\System32\wsl.exe -d docker-desktop -u root -- docker run --pull
always --rm --name SEAMM --env "DISPLAY=host.docker.internal:0" --network  seamm-network -v ~/SEAMM:/root/SEAMM -v ~/.seamm.d:/root/.seamm.d ghcr.io/molssi-seamm/seamm:latest &

You can then double-click on the shortcut to start the SEAMM GUI.

Warning

We have not yet installed on SEAMM on Windows using Docker. We are working on this! Hopefully the above instruction will work, but we have not tested it yet.

General

Once you have Docker installed, you can start the SEAMM GUI by running the following command in a terminal window:

docker run --pull always --rm --name SEAMM \
                    --env "DISPLAY=host.docker.internal:0" \
                    --network seamm-network \
                    -v ~/SEAMM:/root/SEAMM \
                    -v ~/.seamm.d:/root/.seamm.d \
                    ghcr.io/molssi-seamm/seamm:latest &