hpcflow-new2 0.2.0a227__tar.gz → 0.2.0a229__tar.gz

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: hpcflow-new2
-Version: 0.2.0a227
+Version: 0.2.0a229
 Summary: Computational workflow management
 License: MPL-2.0
 Author: aplowman

hpcflow_new2-0.2.0a229/hpcflow/_version.py

@@ -0,0 +1 @@
+__version__ = "0.2.0a229"

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/hpcflow/sdk/cli.py

@@ -190,7 +190,7 @@ def _make_API_CLI(app: BaseApp):
         format, or a YAML/JSON string.
 
         """
-        wk = app.make_workflow(
+        wk_or_sub = app.make_workflow(
             template_file_or_str=template_file_or_str,
             is_string=string,
             template_format=format,
@@ -204,8 +204,12 @@ def _make_API_CLI(app: BaseApp):
             status=status,
             add_submission=add_submission,
         )
-        assert isinstance(wk, Workflow)
-        click.echo(wk.path)
+        if add_submission:
+            assert isinstance(wk_or_sub, Submission)
+            click.echo(wk_or_sub.workflow.path)
+        else:
+            assert isinstance(wk_or_sub, Workflow)
+            click.echo(wk_or_sub.path)
 
     @click.command(name="go")
     @click.argument("template_file_or_str")

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/hpcflow/sdk/core/actions.py

@@ -3017,6 +3017,7 @@ class Action(JSONLike):
             if all(rule.test(element_iteration=element_iter) for rule in cmd.rules)
         ]
 
+    @TimeIt.decorator
     def get_required_executables(self) -> Iterator[str]:
         """Return executable labels required by this action."""
         for command in self.commands:

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/hpcflow/sdk/core/commands.py

@@ -11,6 +11,7 @@ from typing import Any, ClassVar, TYPE_CHECKING
 
 import numpy as np
 
+from hpcflow.sdk.log import TimeIt
 from hpcflow.sdk.typing import hydrate
 from hpcflow.sdk.core.element import ElementResources
 from hpcflow.sdk.core.errors import NoCLIFormatMethodError
@@ -416,6 +417,7 @@ class Command(JSONLike):
     def _extract_executable_labels(cls, cmd_str: str) -> Sequence[str]:
         return cls.__EXE_RE.findall(cmd_str)
 
+    @TimeIt.decorator
     def get_required_executables(self) -> Sequence[str]:
         """Return executable labels required by this command."""
         # an executable label might appear in the `command` or `executable` attribute:

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/hpcflow/sdk/core/workflow.py

@@ -1786,6 +1786,20 @@ class Workflow(AppAware):
         elem: int
         task: int
 
+    @TimeIt.decorator
+    def __get_elements_by_task_idx(
+        self, element_idx_by_task: dict[int, set[int]]
+    ) -> dict[int, dict[int, Element]]:
+        return {
+            task_idx: {
+                idx: element
+                for idx, element in zip(
+                    elem_indices, self.tasks[task_idx].elements[list(elem_indices)]
+                )
+            }
+            for task_idx, elem_indices in element_idx_by_task.items()
+        }
+
     @TimeIt.decorator
     def get_elements_from_IDs(self, id_lst: Iterable[int]) -> list[Element]:
         """Return element objects from a list of IDs."""
@@ -1800,10 +1814,7 @@ class Workflow(AppAware):
             index_paths.append(Workflow._IndexPath1(elem_idx, task.index))
             element_idx_by_task[task.index].add(elem_idx)
 
-        elements_by_task = {
-            task_idx: {idx: self.tasks[task_idx].elements[idx] for idx in elem_idxes}
-            for task_idx, elem_idxes in element_idx_by_task.items()
-        }
+        elements_by_task = self.__get_elements_by_task_idx(element_idx_by_task)
 
         return [elements_by_task[path.task][path.elem] for path in index_paths]
 
@@ -1832,10 +1843,7 @@ class Workflow(AppAware):
             index_paths.append(Workflow._IndexPath2(iter_idx, elem_idx, task.index))
             element_idx_by_task[task.index].add(elem_idx)
 
-        elements_by_task = {
-            task_idx: {idx: self.tasks[task_idx].elements[idx] for idx in elem_idx}
-            for task_idx, elem_idx in element_idx_by_task.items()
-        }
+        elements_by_task = self.__get_elements_by_task_idx(element_idx_by_task)
 
         return [
             elements_by_task[path.task][path.elem].iterations[path.iter]
@@ -3627,7 +3635,8 @@ class Workflow(AppAware):
         if status:
             status.update("Adding new submission: resolving jobscripts...")
 
-        cache = ObjectCache.build(self, elements=True, iterations=True, runs=True)
+        with self._store.cache_ctx():
+            cache = ObjectCache.build(self, elements=True, iterations=True, runs=True)
 
         sub_obj: Submission = self._app.Submission(
             index=new_idx,
@@ -3719,7 +3728,7 @@ class Workflow(AppAware):
 
         """
         with self._app.config.cached_config():
-            with self.cached_merged_parameters():
+            with self.cached_merged_parameters(), self._store.cache_ctx():
                 js, element_deps = self._resolve_singular_jobscripts(
                     cache, tasks, force_array
                 )

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/hpcflow/sdk/demo/cli.py

@@ -29,6 +29,7 @@ from hpcflow.sdk.cli_common import (
     make_status_opt,
     add_sub_opt,
 )
+from hpcflow.sdk.submission.submission import Submission
 
 if TYPE_CHECKING:
     from collections.abc import Iterable
@@ -133,7 +134,7 @@ def get_demo_workflow_CLI(app: BaseApp):
         status: bool = True,
         add_submission: bool = False,
     ):
-        wk = app.make_demo_workflow(
+        wk_or_sub = app.make_demo_workflow(
             workflow_name=workflow_name,
             template_format=format,
             path=path,
@@ -146,8 +147,12 @@ def get_demo_workflow_CLI(app: BaseApp):
             status=status,
             add_submission=add_submission,
         )
-        assert isinstance(wk, Workflow)
-        click.echo(wk.path)
+        if add_submission:
+            assert isinstance(wk_or_sub, Submission)
+            click.echo(wk_or_sub.workflow.path)
+        else:
+            assert isinstance(wk_or_sub, Workflow)
+            click.echo(wk_or_sub.path)
 
     @demo_workflow.command("go")
     @click.argument("workflow_name")

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/hpcflow/tests/unit/test_cli.py

@@ -1,3 +1,4 @@
+from pathlib import Path
 import pytest
 
 from click.testing import CliRunner
@@ -143,3 +144,27 @@ def test_cli_click_exit_code_non_zero(tmp_path):
     )
     assert result.exit_code == 2
     assert error_file.is_file()
+
+
+def test_cli_make_demo_workflow(new_null_config, tmp_path):
+    """Check the demo workflow directory is generated."""
+    runner = CliRunner()
+    result = runner.invoke(
+        hf.cli, args=f'demo-workflow make workflow_1 --path "{str(tmp_path)}"'
+    )
+    assert result.exit_code == 0
+    assert Path(result.stdout_bytes.decode().strip()).is_dir()
+
+
+def test_cli_make_demo_workflow_add_sub(new_null_config, tmp_path):
+    """Check the demo workflow directory is generated, and a submission is added."""
+    runner = CliRunner()
+    result = runner.invoke(
+        hf.cli,
+        args=f'demo-workflow make workflow_1 --path "{str(tmp_path)}" --add-submission',
+    )
+    assert result.exit_code == 0
+    wk_path = Path(result.stdout_bytes.decode().strip())
+    assert wk_path.is_dir()
+    wk = hf.Workflow(wk_path)
+    assert len(wk.submissions) == 1

{hpcflow_new2-0.2.0a227 → hpcflow_new2-0.2.0a229}/pyproject.toml

@@ -1,7 +1,7 @@
 
 [tool.poetry]
 name = "hpcflow-new2"
-version = "0.2.0a227"
+version = "0.2.0a229"
 
 description = "Computational workflow management"
 authors = ["aplowman <adam.plowman@manchester.ac.uk>"]
@@ -100,7 +100,7 @@ hook-dirs = "hpcflow.__pyinstaller:get_hook_dirs"
 
 [tool.commitizen]
 name = "cz_conventional_commits"
-version = "0.2.0a227"
+version = "0.2.0a229"
 tag_format = "v$version"
 version_files = [ 
     "pyproject.toml:version",

hpcflow_new2-0.2.0a227/hpcflow/_version.py

@@ -1 +0,0 @@
-__version__ = "0.2.0a227"