schrodinger.tasks.remote_modules module

This module provides a way to make copies of modules and import the copies in a different build (i.e. on a remote machine).

This is especially useful when developing code that is meant to be run on another machine, such as a remote job host or on an LD instance, where the remote build would not have the latest changes needed to run the code.

To use, call write_modules_config() on the launch machine, and then call activate_modules() on the remote machine before importing the modules.

The replacement affects all downstream imports, including imports made in other modules, so indirect dependencies can be addressed as well.

schrodinger.tasks.remote_modules.write_modules_config(modules_list, parent_dir=None, modules_dir=None, zip=False)

Given a list of modules, copy the modules to a directory and write a json file mapping the module fullnames to the local filepaths of the modules.

The resulting directory can be loaded in to “activate” the modules so that the copied modules are imported instead of the original modules.

If zip is set to True, the modules dir will be zipped and given the filename <modules_dir>.zip. To activate the modules on the remote machine, you must call activate_modules with zip=True.

Example:

from schrdinger.tasks import remote_modules

# modules to replace from schrodinger.models import diffy from schrodinger.models import jsonable

remote_modules.write_modules_config([diffy, jsonable])

Parameters

  • modules_list – the list of modules to copy and load remotely

  • parent_dir – the directory into which the module dir should be created. Typically, this would be the launch dir/task dir.

  • modules_dir – name of the modules dir. Default is ‘.remote_modules’

  • zip – whether to zip the modules dir

Returns

a dictionary mapping module fullnames to the copied files. The filenames are relative to the modules dir.

schrodinger.tasks.remote_modules.activate_modules(modules_dir=None, zip=False)

Activate the modules in the given modules dir. This will add a _FileBasedModuleFinder to sys.meta_path so that the modules in the given modules dir are imported instead of the original modules.

The replacement affects all downstream imports, including imports made in other modules.

Example:

# assume a modules dir has been created with write_modules_config() as # in the example above from schrodinger.tasks import remote_modules remote_modules.activate_remote_modules()

# these imports will now import the copies from the modules dir instead # of the original modules in the build from schrodinger.models import diffy from schrodinger.models import jsonable

Parameters

modules_dir – name of the modules dir. Default is ‘.remote_modules’. If zip=True, this will still be the name of the directory, without the ‘.zip’ extension.

schrodinger.tasks.remote_modules.get_activated_module_names()