Moving from the SEAMM Installer#

Before the SEAMM Manager, SEAMM was installed into a conda environment, usually called seamm, with the SEAMM Installer (seamm-installer). Such an installation keeps working, but it reads a package list that is no longer updated, so it receives no new versions of SEAMM or the plug-ins.

Moving to the SEAMM Manager is quick and leaves your work where it is. The jobs in ~/SEAMM/Jobs, the configuration in ~/SEAMM/*.ini and ~/.seamm.d, and the conda environments of the codes (seamm-mopac, seamm-lammps, …) are shared by both, and the manager uses them as they are.

  1. Install uv and the SEAMM Manager (Installing SEAMM with the Manager):

    curl -LsSf https://astral.sh/uv/install.sh | sh
uv tool install seamm-manager

  2. Install SEAMM into the new environment ~/SEAMM/venv:

    seamm-manager install --all

    or install --gui-only --all if the machine only runs the GUI. The plug-ins’ own installers find the codes’ conda environments already in place and leave them be.

  3. If you had shortcuts, recreate them so that they start SEAMM from the new environment:

    seamm-manager apps create

  4. If you ran the JobServer as a service, recreate it the same way, once no jobs are running:

    seamm-manager services create --force jobserver

  5. The web interface replaces the old Dashboard. If you ran the Dashboard as a service, stop it and set up the web interface on the same port:

    seamm-manager services stop dashboard
seamm-manager install seamm-webui
seamm-manager services create webui

    Add --webui-host 127.0.0.1 on a personal machine; see Command Line Installation. The web interface shows the same jobs and projects, since it reads the same database.

  6. Check that you can run a flowchart and see it in the web interface. Once you are satisfied, remove the old pieces:

    conda env remove -n seamm

    and delete the old SEAMM-Installer shortcut if you have one.

Note

If you have several SEAMM installations, for instance a production one in ~/SEAMM and a development one in ~/SEAMM_DEV, move each separately. --root chooses the root and --development is shorthand for ~/SEAMM_DEV.

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