ersilia.setup.requirements package¶

Submodules¶

ersilia.setup.requirements.bentoml module¶

class ersilia.setup.requirements.bentoml.BentoMLRequirement[source]¶

Bases: object

A class to handle the installation and version checking of BentoML for Ersilia.

is_installed()[source]¶: Checks if BentoML is installed.

is_bentoml_ersilia_version()[source]¶: Checks if the installed BentoML version is the Ersilia version.

install()[source]¶: Installs the Ersilia version of BentoML.

install() → None[source]¶

Installs the Ersilia version of BentoML.

This method installs the BentoML package from the Ersilia GitHub repository.

Return type:: None

is_bentoml_ersilia_version() → bool[source]¶

Checks if the installed BentoML version is the Ersilia version.

Returns:: True if the installed BentoML version is the Ersilia version, False otherwise.
Return type:: bool

is_installed() → bool[source]¶

Checks if BentoML is installed.

Returns:: True if BentoML is installed, False otherwise.
Return type:: bool

ersilia.setup.requirements.compound module¶

class ersilia.setup.requirements.compound.ChemblWebResourceClientRequirement[source]¶

Bases: object

A class to handle the installation of the ChEMBL web resource client library.

install()[source]¶: Installs the ChEMBL web resource client library.

install() → None[source]¶

Installs the ChEMBL web resource client library.

This method installs the ChEMBL web resource client package using pip.

Return type:: None

class ersilia.setup.requirements.compound.RdkitRequirement[source]¶

Bases: object

A class to handle the installation of the RDKit library.

install()[source]¶: Installs the RDKit library.

install() → None[source]¶

Installs the RDKit library.

This method installs the RDKit package using pip.

Return type:: None

ersilia.setup.requirements.conda module¶

class ersilia.setup.requirements.conda.CondaRequirement[source]¶

Bases: object

A class to handle the installation and checking of the Conda package manager.

is_installed()[source]¶: Checks if Conda is installed.

install()[source]¶: Placeholder for installing Conda.

install() → None[source]¶

Placeholder for installing Conda.

Return type:: None

is_installed() → bool[source]¶

Checks if Conda is installed.

Returns:: True if Conda is installed, False otherwise.
Return type:: bool

ersilia.setup.requirements.docker module¶

class ersilia.setup.requirements.docker.DockerRequirement[source]¶

Bases: object

A class to handle the checking and management of Docker.

is_inside_docker()[source]¶: Checks if the current environment is inside a Docker container.

is_working()[source]¶: Checks if Docker is working by running a test container.

is_logged_in()[source]¶: Checks if Docker is logged in.

is_active()[source]¶: Checks if Docker is active.

is_installed()[source]¶: Checks if Docker is installed.

is_active() → bool[source]¶

Checks if Docker is active.

Returns:: True if Docker is active, False otherwise.
Return type:: bool

is_inside_docker() → bool[source]¶

Checks if the current environment is inside a Docker container.

Returns:: True if inside a Docker container, False otherwise.
Return type:: bool

is_installed() → bool[source]¶

Checks if Docker is installed.

Returns:: True if Docker is installed, False otherwise.
Return type:: bool

is_logged_in() → bool[source]¶

Checks if Docker is logged in.

Returns:: True if Docker is logged in, False otherwise.
Return type:: bool

is_working() → bool[source]¶

Checks if Docker is working by running a test container.

Returns:: True if Docker is working, False otherwise.
Return type:: bool

ersilia.setup.requirements.eospath module¶

class ersilia.setup.requirements.eospath.EosHomePathRequirement[source]¶

Bases: object

A class to check the existence of the EOS home path.

eos_home_path_exists()¶: Checks if the EOS home path exists.

eos_home_path_exists(**kwargs)¶

ersilia.setup.requirements.git module¶

class ersilia.setup.requirements.git.GitLfsRequirement[source]¶

Bases: object

A class to handle the checking and installation of Git LFS.

is_installed(install_if_necessary=True)¶: Checks if Git LFS is installed.

activate()[source]¶: Activates Git LFS.

install()[source]¶: Installs Git LFS.

activate() → None[source]¶

Activates Git LFS.

This method runs the Git LFS install command.

Return type:: None

install() → None[source]¶

Installs Git LFS.

This method installs Git LFS using conda.

Return type:: None

is_installed(**kwargs)¶

class ersilia.setup.requirements.git.GithubCliRequirement[source]¶

Bases: object

A class to handle the checking and installation of the GitHub CLI.

is_installed(raise_exception=False, install_if_necessary=False)¶: Checks if the GitHub CLI is installed.

install()[source]¶: Installs the GitHub CLI.

install() → None[source]¶

Installs the GitHub CLI.

This method installs the GitHub CLI using conda.

Return type:: None

is_installed(**kwargs)¶

ersilia.setup.requirements.isaura module¶

class ersilia.setup.requirements.isaura.IsauraRequirement[source]¶

Bases: object

A class to handle the installation of the Isaura library.

install()[source]¶: Installs the Isaura library.

install() → None[source]¶

Installs the Isaura library.

This method installs the Isaura package using a placeholder command.

Return type:: None

ersilia.setup.requirements.ping module¶

class ersilia.setup.requirements.ping.PingRequirement[source]¶

Bases: object

A class to check internet connectivity.

is_connected()¶: Checks if the system is connected to the internet.

is_connected(**kwargs)¶

Module contents¶

ersilia.setup.requirements.check_bentoml()[source]¶