Attmpt to decouple this_code setup

aiida/engine/processes/calcjobs/calcjob.py

@@ -615,7 +615,7 @@ def presubmit(self, folder: Folder) -> CalcInfo:
         from aiida.common.datastructures import CodeInfo, CodeRunMode
         from aiida.common.exceptions import InputValidationError, InvalidOperation, PluginInternalError, ValidationError
         from aiida.common.utils import validate_list_of_string_tuples
-        from aiida.orm import AbstractCode, Code, Computer, InstalledCode, PortableCode, load_node
+        from aiida.orm import AbstractCode, Computer, PortableCode, load_code
         from aiida.schedulers.datastructures import JobTemplate, JobTemplateCodeInfo
 
         inputs = self.node.base.links.get_incoming(link_type=LinkType.INPUT_CALC)
@@ -719,7 +719,7 @@ def presubmit(self, folder: Folder) -> CalcInfo:
 
             if code_info.code_uuid is None:
                 raise PluginInternalError('CalcInfo should have the information of the code to be launched')
-            this_code = load_node(code_info.code_uuid, sub_classes=(Code, InstalledCode, PortableCode))
+            this_code = load_code(code_info.code_uuid)
 
             # To determine whether this code should be run with MPI enabled, we get the value that was set in the inputs
             # of the entire process, which can then be overwritten by the value from the `CodeInfo`. This allows plugins
@@ -734,11 +734,11 @@ def presubmit(self, folder: Folder) -> CalcInfo:
                 this_withmpi = code_info.withmpi
 
             if this_withmpi:
-                prepend_cmdline_params = mpi_args + extra_mpirun_params
+                prepend_cmdline_params = this_code.get_prepend_cmdline_params(mpi_args, extra_mpirun_params)
             else:
-                prepend_cmdline_params = []
+                prepend_cmdline_params = this_code.get_prepend_cmdline_params()
 
-            cmdline_params = [str(this_code.get_executable())] + (code_info.cmdline_params or [])
+            cmdline_params = this_code.get_executable_cmdline_params(code_info.cmdline_params)
 
             tmpl_code_info = JobTemplateCodeInfo()
             tmpl_code_info.prepend_cmdline_params = prepend_cmdline_params

aiida/orm/nodes/data/code/abstract.py

@@ -12,6 +12,7 @@
 
 import abc
 import collections
+import pathlib
 
 import click
 
@@ -70,12 +71,38 @@ def can_run_on_computer(self, computer: Computer) -> bool:
         """
 
     @abc.abstractmethod
-    def get_executable(self) -> str:
-        """Return the executable that the submission script should execute to run the code.
+    def get_executable(self) -> pathlib.Path:
+        """
+        Return the executable that the submission script should execute to run the code.
 
         :return: The executable to be called in the submission script.
         """
 
+    def get_executable_cmdline_params(self, cmdline_params: list[str] | None = None) -> list:
+        """
+        Return the list of executable with its command line parameters.
+
+        :param cmdline_params: List of command line parameters provided by the ``CalcJob`` plugin.
+        :return: List of the executable followed by its command line parameters.
+        """
+        return [str(self.get_executable())] + (cmdline_params or [])
+
+    def get_prepend_cmdline_params( # pylint: disable=no-self-use
+        self,
+        mpi_args: list[str] | None = None,
+        extra_mpirun_params: list[str] | None = None
+    ) -> list[str]:
+        """
+        Return List of command line parameters to be prepended to the executable in submission line.
+        These command line parameters are typically parameters related to MPI invocations.
+
+        :param mpi_args: List of MPI parameters provided by the ``Computer.get_mpirun_command`` method.
+        :param extra_mpiruns_params: List of MPI parameters provided by the ``metadata.options.extra_mpirun_params``
+            input of the ``CalcJob``.
+        :return: List of command line parameters to be prepended to the executable in submission line.
+        """
+        return (mpi_args or []) + (extra_mpirun_params or [])
+
     @property
     @abc.abstractmethod
     def full_label(self) -> str:

aiida/orm/nodes/data/code/installed.py

@@ -92,7 +92,7 @@ def can_run_on_computer(self, computer: Computer) -> bool:
         type_check(computer, Computer)
         return computer.pk == self.computer.pk
 
-    def get_executable(self) -> str:
+    def get_executable(self) -> pathlib.Path:
         """Return the executable that the submission script should execute to run the code.
 
         :return: The executable to be called in the submission script.

aiida/orm/nodes/data/code/legacy.py

@@ -9,6 +9,7 @@
 ###########################################################################
 """Data plugin represeting an executable code to be wrapped and called through a `CalcJob` plugin."""
 import os
+import pathlib
 
 from aiida.common import exceptions
 from aiida.common.log import override_log_level
@@ -78,15 +79,17 @@ def can_run_on_computer(self, computer: Computer) -> bool:
         type_check(computer, orm.Computer)
         return computer.pk == self.get_remote_computer().pk
 
-    def get_executable(self) -> str:
+    def get_executable(self) -> pathlib.Path:
         """Return the executable that the submission script should execute to run the code.
 
         :return: The executable to be called in the submission script.
         """
         if self.is_local():
-            return f'./{self.get_local_executable()}'
+            exec_path = f'./{self.get_local_executable()}'
 
-        return self.get_remote_exec_path()
+        exec_path = self.get_remote_exec_path()
+
+        return pathlib.Path(exec_path)
 
     def hide(self):
         """

aiida/orm/nodes/data/code/portable.py

@@ -85,7 +85,7 @@ def can_run_on_computer(self, computer: Computer) -> bool:
         """
         return True
 
-    def get_executable(self) -> str:
+    def get_executable(self) -> pathlib.Path:
         """Return the executable that the submission script should execute to run the code.
 
         :return: The executable to be called in the submission script.

aiida/orm/utils/builders/code.py

@@ -111,7 +111,7 @@ def get_code_spec(code):
         else:
             spec['code_type'] = CodeBuilder.CodeType.ON_COMPUTER
             spec['computer'] = code.computer
-            spec['remote_abs_path'] = code.get_executable()
+            spec['remote_abs_path'] = str(code.get_executable())
 
         return spec
 

tests/orm/data/code/test_abstract.py

@@ -9,6 +9,8 @@
 ###########################################################################
 # pylint: disable=redefined-outer-name
 """Tests for the :class:`aiida.orm.nodes.data.code.abstract.AbstractCode` class."""
+import pathlib
+
 import pytest
 
 from aiida.orm.nodes.data.code.abstract import AbstractCode
@@ -21,7 +23,7 @@ def can_run_on_computer(self, computer) -> bool:
         """Return whether the code can run on a given computer."""
         return True
 
-    def get_executable(self) -> str:
+    def get_executable(self) -> pathlib.Path:
         """Return the executable that the submission script should execute to run the code."""
         return ''