hpcflow 0.1.9__py3-none-any.whl → 0.2.0a271__py3-none-any.whl

hpcflow/sdk/submission/shells/base.py

@@ -0,0 +1,229 @@
+"""
+Base model of a shell.
+"""
+
+from __future__ import annotations
+from abc import ABC, abstractmethod
+from typing import TYPE_CHECKING
+from hpcflow.sdk.typing import hydrate
+
+if TYPE_CHECKING:
+    from collections.abc import Mapping
+    from pathlib import Path
+    from typing import Any, ClassVar
+    from ..types import JobscriptHeaderArgs, VersionInfo
+
+from hpcflow.sdk.utils.hashing import get_hash
+
+
+@hydrate
+class Shell(ABC):
+    """Class to represent a shell and templates for jobscript composition.
+
+    This class represents a combination of a shell and an OS. For example, running
+    bash on a POSIX OS, and provides snippets that are used to compose a jobscript for
+    that combination.
+
+    Parameters
+    ----------
+    executable: str
+        Which executable implements the shell.
+    os_args:
+        Arguments to pass to the shell.
+    """
+
+    #: Default for executable name.
+    DEFAULT_EXE: ClassVar[str] = "/bin/bash"
+    #: File extension for jobscripts.
+    JS_EXT: ClassVar[str]
+    #: Basic indent.
+    JS_INDENT: ClassVar[str]
+    #: Indent for environment setup.
+    JS_ENV_SETUP_INDENT: ClassVar[str]
+    #: Template for the jobscript shebang line.
+    JS_SHEBANG: ClassVar[str]
+    #: Template for the jobscript functions file.
+    JS_FUNCS: ClassVar[str]
+    #: Template for the common part of the jobscript header.
+    JS_HEADER: ClassVar[str]
+    #: Template for the jobscript header when scheduled.
+    JS_SCHEDULER_HEADER: ClassVar[str]
+    #: Template for the jobscript header when directly executed.
+    JS_DIRECT_HEADER: ClassVar[str]
+    #: Template for enabling writing of the app log.
+    JS_RUN_LOG_PATH_ENABLE: ClassVar[str]
+    #: Template for disabling writing of the app log.
+    JS_RUN_LOG_PATH_DISABLE: ClassVar[str]
+    #: Template for the run execution command.
+    JS_RUN_CMD: ClassVar[str]
+    #: Template for the execution command for multiple combined runs.
+    JS_RUN_CMD_COMBINED: ClassVar[str]
+    #: Template for setting up run environment variables and executing the run.
+    JS_RUN: ClassVar[str]
+    #: Template for the action-run processing loop in a jobscript.
+    JS_ACT_MULTI: ClassVar[str]
+    #: Template for the single-action-run execution in a jobscript.
+    JS_ACT_SINGLE: ClassVar[str]
+    #: Template for setting up environment variables and running one or more action-runs.
+    JS_MAIN: ClassVar[str]
+    #: Template for a jobscript-block header.
+    JS_BLOCK_HEADER: ClassVar[str]
+    #: Template for single-element execution.
+    JS_ELEMENT_SINGLE: ClassVar[str]
+    #: Template for the element processing loop in a jobscript.
+    JS_ELEMENT_MULTI_LOOP: ClassVar[str]
+    #: Template for the array handling code in a jobscript.
+    JS_ELEMENT_MULTI_ARRAY: ClassVar[str]
+    #: Template for the jobscript block loop in a jobscript.
+    JS_BLOCK_LOOP: ClassVar[str]
+    #: Template for the jobscript footer.
+    JS_FOOTER: ClassVar[str]
+
+    __slots__ = ("_executable", "executable_args", "os_args")
+
+    def __init__(
+        self,
+        executable: str | None = None,
+        executable_args: list[str] | None = None,
+        os_args: dict[str, str] | None = None,
+    ):
+        #: Which executable implements the shell.
+        self._executable = executable or self.DEFAULT_EXE
+        #: Arguments to provide to the shell executable (e.g. `--login`).
+        self.executable_args = executable_args or []
+        #: Arguments to pass to the shell.
+        self.os_args = os_args or {}
+
+    def __eq__(self, other: Any) -> bool:
+        if not isinstance(other, self.__class__):
+            return False
+        return (
+            self._executable == other._executable
+            and self.executable_args == other.executable_args
+            and self.os_args == other.os_args
+        )
+
+    def __hash__(self):
+        return get_hash((self._executable, tuple(self.executable_args), self.os_args))
+
+    @property
+    def executable(self) -> list[str]:
+        """
+        The executable to use plus any mandatory arguments.
+        """
+        return [self._executable, *self.executable_args]
+
+    @property
+    def shebang_executable(self) -> list[str]:
+        """
+        The executable to use in a shebang line.
+        """
+        return self.executable
+
+    def get_direct_submit_command(self, js_path: str) -> list[str]:
+        """Get the command for submitting a non-scheduled jobscript."""
+        return self.executable + [js_path]
+
+    def get_command_file_launch_command(self, cmd_file_path: str) -> list[str]:
+        """Get the command for launching the commands file for a given run."""
+        return self.executable + [cmd_file_path]
+
+    @abstractmethod
+    def get_version_info(self, exclude_os: bool = False) -> VersionInfo:
+        """Get shell and operating system information."""
+
+    def get_wait_command(
+        self, workflow_app_alias: str, sub_idx: int, deps: Mapping[int, Any]
+    ):
+        """
+        Get the command to wait for a workflow.
+        """
+        if not deps:
+            return ""
+        return (
+            f"{workflow_app_alias} workflow $WK_PATH_ARG wait --jobscripts "
+            f'"{sub_idx}:{",".join(str(i) for i in deps)}"'
+        )
+
+    @staticmethod
+    def process_app_invoc_executable(app_invoc_exe: str) -> str:
+        """
+        Perform any post-processing of an application invocation command name.
+        """
+        return app_invoc_exe
+
+    def process_JS_header_args(
+        self, header_args: JobscriptHeaderArgs
+    ) -> JobscriptHeaderArgs:
+        """
+        Process the application invocation key in the jobscript header arguments.
+        """
+        app_invoc_ = header_args["app_invoc"]
+        if not isinstance(app_invoc_, str):
+            app_invoc = self.process_app_invoc_executable(app_invoc_[0])
+            for item in app_invoc_[1:]:
+                app_invoc += f' "{item}"'
+            header_args["app_invoc"] = app_invoc
+        return header_args
+
+    def prepare_JS_path(self, js_path: Path) -> str:
+        """
+        Prepare the jobscript path for use.
+        """
+        return str(js_path)
+
+    def prepare_element_run_dirs(self, run_dirs: list[list[Path]]) -> list[list[str]]:
+        """
+        Prepare the element run directory names for use.
+        """
+        return [[str(path) for path in i] for i in run_dirs]
+
+    @abstractmethod
+    def format_save_parameter(
+        self,
+        workflow_app_alias: str,
+        param_name: str,
+        shell_var_name: str,
+        cmd_idx: int,
+        stderr: bool,
+        app_name: str,
+    ) -> str:
+        """
+        Produce code to save a parameter's value into the workflow persistent store.
+        """
+
+    @abstractmethod
+    def format_stream_assignment(self, shell_var_name: str, command: str) -> str:
+        """
+        Format a stream assignment.
+        """
+
+    @abstractmethod
+    def format_env_var_get(self, var: str) -> str:
+        """
+        Format retrieval of a shell environment variable.
+        """
+
+    @abstractmethod
+    def format_array(self, lst: list) -> str:
+        """
+        Format construction of a shell array.
+        """
+
+    @abstractmethod
+    def format_array_get_item(self, arr_name: str, index: int | str) -> str:
+        """
+        Format retrieval of a shell array item at a specified index.
+        """
+
+    @abstractmethod
+    def format_source_functions_file(self, app_name: str, commands: str) -> str:
+        """
+        Format sourcing (i.e. invocation) of the jobscript functions file.
+        """
+
+    @abstractmethod
+    def format_commands_file(self, app_name: str, commands: str) -> str:
+        """
+        Format the commands file.
+        """