schrodinger.autoinstall.jobserver_install module

schrodinger.autoinstall.jobserver_install.setup_hosts_file(ipath: str, ncpu: int, ngpu: int, logger)

Sets up the hosts.yml file for the Job Server.

This file defines the compute resources available to the Schrodinger suite.

Parameters:

  • ipath – The installation path for the Schrodinger suite.

  • ncpu – The number of CPU cores.

  • ngpu – The number of GPUs.

  • logger – A logger instance for logging messages.

schrodinger.autoinstall.jobserver_install.setup_jsc(ipath: str, liccheck: bool, logger, hostname: str)

Sets up the Job Server Controller (JSC).

This involves creating users, running the jsc_admin setup-server command, configuring file permissions, setting up the jobserverd.service, and enabling necessary feature flags.

Parameters:

  • ipath – The installation path for the Schrodinger suite.

  • liccheck – A boolean to enable or disable license checking.

  • logger – A logger instance for logging messages.

  • hostname – The hostname of the server.

schrodinger.autoinstall.jobserver_install.run(ipath: str, ncpu: int, ngpu: int, liccheck: bool, hostname: str)

Main routine to set up the Job Server and its host configuration.

Parameters:

  • ipath – The installation path for the Schrodinger suite.

  • ncpu – The number of CPU cores.

  • ngpu – The number of GPUs.

  • liccheck – A boolean to enable or disable license checking.

  • hostname – The hostname of the server.

schrodinger.autoinstall.jobserver_install.get_old_hostname() → str

Extracts the old hostname from the Job Server’s server_authentication file by reading the public certificate’s Subject Alternative Name (SAN).

Returns:

The old hostname, or None if it cannot be determined.

schrodinger.autoinstall.jobserver_install.reconfig(ipath: str, hostname: str)

Re-configures Job Server after a hostname change.

This function preserves the old root certificates from the server authentication files so that existing client connections and running jobs continue to work with the new hostname.

Parameters:

  • ipath – The installation path for the Schrodinger suite.

  • hostname – The new hostname of the server.