schrodinger.autoinstall.prepare_os module

schrodinger.autoinstall.prepare_os.install_req_packages(os_enum: OperatingSystem, os_version_str: str, schrodversion: str, tmpdir: str, logger)

Downloads and installs required OS-level packages for a specific OS.

Package lists are fetched from the schrodinger/linux_package_requirement GitHub repository.

Parameters:

• os_enum – The detected operating system.

• os_version_str – The full OS version string (e.g., ‘rocky 8’).

• schrodversion – The version of the Schrodinger suite.

• tmpdir – The temporary directory for downloads.

• logger – A logger instance for logging messages.

schrodinger.autoinstall.prepare_os.install_nvidia(os_enum: OperatingSystem, os_version_str: str, tmpdir: str, logger)

Installs Nvidia drivers if a CUDA 12 compatible driver is not found.

Parameters:

• os_enum – The detected operating system.

• os_version_str – The full OS version string (e.g., ‘ubuntu 22.04’).

• tmpdir – The temporary directory for downloads.

• logger – A logger instance for logging messages.

Raises:

SystemExit – If an incompatible Nvidia driver is found.

schrodinger.autoinstall.prepare_os.run(os_enum: OperatingSystem, os_version_str: str, schrodversion: str, ngpu: int, tmpdir: str)

Main routine to prepare the OS by installing required packages and Nvidia drivers.

Parameters:

• os_enum – The operating system enum.

• os_version_str – The full OS version string (e.g., ‘ubuntu 22.04’).

• schrodversion – The version of the Schrodinger suite.

• ngpu – The number of GPUs, which determines if Nvidia drivers are installed.

• tmpdir – The temporary directory for downloads.