✨ BatchFile rendering from templates

xtl.jobs.config2:BatchJobConfig
- New configuration class for storing options and templates for
  programmatic BatchFile generation
- Will replace xtl.jobs.config:BatchConfig in the future

xtl.jobs.batchfiles:BatchFile
- New .from_config() class method for creating pre-configured BatchFiles
  with pre-defined payload/content
- Fixed a bug in .save() where extra new line characters would be
  generated if there was no preamble/content/postamble
- Added more docstrings
- Fixed some circular imports

xtl.jobs.sites
- Fixed a bug where ComputeSite was not hashable
- Fixed some circular imports

xtl.settings
- Added options for jobs and batchfiles

xtl.common.validators
- Added new validation function for returning a temp dir if None is
  provided

Author: dtriand

src/xtl/common/validators.py

@@ -11,11 +11,12 @@
     'PathIsAbsoluteValidator',
     'CastAsValidator',
     'CastAsNoneIfEmpty',
-    'CastAsPathOrNone',
+    'CastAsPathOrNone'
 ]
 
 from functools import partial
 from pathlib import Path
+import tempfile
 from typing import Any, Callable, Iterable, Optional
 
 from pydantic import AfterValidator, BeforeValidator
@@ -140,6 +141,16 @@ def cast_as_path_or_none(value: Any) -> Optional[Path]:
     return None
 
 
+def cast_as_temp_dir_if_none(value: Any, prefix: str = 'xtl_') -> Path:
+    """
+    Cast the value to a temporary directory if it is ``None``.
+    """
+    if value is None:
+        temp_dir = tempfile.TemporaryDirectory(prefix=prefix)
+        return Path(temp_dir.name)
+    return Path(value)
+
+
 # Custom validator classes
 def LengthValidator(length: int) -> AfterValidator:
     """
@@ -203,3 +214,4 @@ def CastAsPathOrNone() -> BeforeValidator:
     value is empty.
     """
     return BeforeValidator(cast_as_path_or_none)
+

src/xtl/config/settings.py

@@ -3,9 +3,9 @@
 models that are used to configure various aspects of XTL. The main class that holds all
 settings is :class:`XTLSettings`.
 """
-
+from __future__ import annotations
 from pathlib import Path
-from typing import ClassVar, Optional, TYPE_CHECKING
+from typing import ClassVar, Optional
 
 from pydantic import PrivateAttr
 
@@ -14,6 +14,7 @@
 
 from xtl import version as current_version
 from xtl.automate import ComputeSite
+from xtl.jobs.sites import ComputeSite as ComputeSite2
 from xtl.config.version import version_from_str
 from xtl.common.os import FilePermissions
 from xtl.common.options import Option, Options
@@ -107,6 +108,40 @@ class AutomateSettings(Settings):
         )
 
 
+class BatchSettings(Settings):
+    """
+    Settings for batch files in :mod:`xtl.jobs.batchfiles`
+    """
+
+    # Model attributes
+    permissions: FilePermissions = \
+        Option(
+            default=FilePermissions(0o700),
+            desc='Permissions for the batch file in octal format (e.g., 700)',
+            cast_as=FilePermissions,
+            formatter=PermissionOctal
+        )
+
+
+class JobsSettings(Settings):
+    """
+    Settings for jobs in :mod:`xtl.jobs`
+    """
+
+    # Model attributes
+    batch: BatchSettings = \
+        Option(
+            default=BatchSettings(),
+            desc='Settings for batch files'
+        )
+
+    compute_site: ComputeSite2 = \
+        Option(
+            default=ComputeSite2.LOCAL,
+            desc='Default compute site for job execution'
+        )
+
+
 class DependencySettings(Settings):
     """
     Generic external dependency settings
@@ -235,6 +270,9 @@ class XTLSettings(Settings):
     automate: AutomateSettings = Option(default=AutomateSettings())
     """Settings for the :mod:`xtl.automate` module"""
 
+    jobs: JobsSettings = Option(default=JobsSettings())
+    """Settings for jobs in :mod:`xtl.jobs`"""
+
     dependencies: DependenciesSettings = Option(default=DependenciesSettings())
     """Settings for external tools and dependencies used by XTL"""