ersilia.setup package

Subpackages

• ersilia.setup.requirements package
  • Submodules
  • ersilia.setup.requirements.bentoml module
    • BentoMLRequirement
      • BentoMLRequirement.is_installed()
      • BentoMLRequirement.is_bentoml_ersilia_version()
      • BentoMLRequirement.install()
      • BentoMLRequirement.install()
      • BentoMLRequirement.is_bentoml_ersilia_version()
      • BentoMLRequirement.is_installed()
  • ersilia.setup.requirements.compound module
    • ChemblWebResourceClientRequirement
      • ChemblWebResourceClientRequirement.install()
      • ChemblWebResourceClientRequirement.install()
    • RdkitRequirement
      • RdkitRequirement.install()
      • RdkitRequirement.install()
  • ersilia.setup.requirements.conda module
    • CondaRequirement
      • CondaRequirement.is_installed()
      • CondaRequirement.install()
      • CondaRequirement.install()
      • CondaRequirement.is_installed()
  • ersilia.setup.requirements.docker module
    • DockerRequirement
      • DockerRequirement.is_inside_docker()
      • DockerRequirement.is_working()
      • DockerRequirement.is_logged_in()
      • DockerRequirement.is_active()
      • DockerRequirement.is_installed()
      • DockerRequirement.is_active()
      • DockerRequirement.is_inside_docker()
      • DockerRequirement.is_installed()
      • DockerRequirement.is_logged_in()
      • DockerRequirement.is_working()
  • ersilia.setup.requirements.eospath module
    • EosHomePathRequirement
      • EosHomePathRequirement.eos_home_path_exists()
      • EosHomePathRequirement.eos_home_path_exists()
  • ersilia.setup.requirements.git module
    • GitLfsRequirement
      • GitLfsRequirement.is_installed()
      • GitLfsRequirement.activate()
      • GitLfsRequirement.install()
      • GitLfsRequirement.activate()
      • GitLfsRequirement.install()
      • GitLfsRequirement.is_installed()
    • GithubCliRequirement
      • GithubCliRequirement.is_installed()
      • GithubCliRequirement.install()
      • GithubCliRequirement.install()
      • GithubCliRequirement.is_installed()
  • ersilia.setup.requirements.isaura module
    • IsauraRequirement
      • IsauraRequirement.install()
      • IsauraRequirement.install()
  • ersilia.setup.requirements.ping module
    • PingRequirement
      • PingRequirement.is_connected()
      • PingRequirement.is_connected()
  • Module contents
    • check_bentoml()
• ersilia.setup.utils package
  • Submodules
  • ersilia.setup.utils.clone module
    • ErsiliaCloner
      • ErsiliaCloner.clone()
      • ErsiliaCloner.clone()
  • Module contents

Submodules

ersilia.setup.baseconda module

class ersilia.setup.baseconda.SetupBaseConda(config_json=None)

Bases: object

A class to handle the setup of a base Conda environment for the model server.

find_closest_python_version(python_version)

Finds the closest available Python version.

setup(org, tag)

Creates a Conda environment to be used as base environment for the model server.

delete(org, tag)

Deletes the specified Conda environment.

delete(org: str, tag: str) → None

Deletes the specified Conda environment.

Parameters:

• org (str) – The organization name.

• tag (str) – The tag in the format ‘0.0.0-py37’.

Return type:

None

find_closest_python_version(python_version: str) → str

Finds the closest available Python version.

Parameters:

python_version (str) – The desired Python version.

Returns:

The closest available Python version.

Return type:

str

setup(org: str, tag: str) → None

Creates a Conda environment to be used as base environment for the model server.

Parameters:

• org (str) – The organization name (bentoml or ersiliaos).

• tag (str) – The tag in the format ‘0.0.0-py37’.

Return type:

None

ersilia.setup.basedocker module

class ersilia.setup.basedocker.SetupBaseDocker(config_json=None)

Bases: ErsiliaBase

A class to set up the base Docker image for Ersilia.

Parameters:

config_json (dict, optional) – Configuration settings in JSON format.

delete(org: str, tag: str) → None

Delete the Docker image.

Parameters:

• org (str) – The organization name.

• tag (str) – The tag for the Docker image.

Return type:

None

setup(org: str, tag: str) → None

Set up the Docker image.

Parameters:

• org (str) – The organization name.

• tag (str) – The tag for the Docker image.

Return type:

None

ersilia.setup.conda module

class ersilia.setup.conda.SetupConda

Bases: object

Class to handle conda setup.

setup()

Set up conda environment.

ersilia.setup.config module

class ersilia.setup.config.SetupConfig

Bases: object

Class to handle configuration setup.

setup()

Set up configuration.

ersilia.setup.profile module

class ersilia.setup.profile.SetupProfile

Bases: object

Class to handle profile setup.

setup()

Set up profile.

Module contents