Slurm and QResources updates

src/qtoolkit/core/data_objects.py

@@ -1,7 +1,7 @@
 from __future__ import annotations
 
 import abc
-from dataclasses import dataclass
+from dataclasses import dataclass, fields
 from pathlib import Path
 
 from qtoolkit.core.base import QTKEnum, QTKObject
@@ -58,6 +58,20 @@ class QState(QTKEnum):
     queue manager (e.g. PBS, SLURM, ...) needs to be
     defined.
 
+    UNDETERMINED: The job status cannot be determined. This is a permanent
+        issue, not being solvable by asking again for the job state.
+    QUEUED: The job is queued for being scheduled and executed.
+    QUEUED HELD: The job has been placed on hold by the system, the
+        administrator, or the submitting user.
+    RUNNING: The job is running on an execution host.
+    SUSPENDED: The job has been suspended by the user, the system or the
+        administrator.
+    REQUEUED: The job was re-queued by the DRM system, and is eligible to run.
+    REQUEUED HELD: The job was re-queued by the DRM system, and is currently
+        placed on hold by the system, the administrator, or the submitting user.
+    DONE: The job finished without an error.
+    FAILED: The job exited abnormally before finishing.
+
     Note that not all these standardized states are available in the
     actual queue manager implementations.
     """
@@ -179,14 +193,36 @@ def __post_init__(self):
                 self.process_placement = ProcessPlacement.NO_CONSTRAINTS  # type: ignore # due to QTKEnum
             elif self.nodes and self.processes_per_node and not self.processes:
                 self.process_placement = ProcessPlacement.EVENLY_DISTRIBUTED
-            else:
+            elif not self._check_no_values():
                 msg = (
                     "When process_placement is None either define only nodes "
-                    "plus processes_per_node or only processes"
+                    "plus processes_per_node or only processes to get a default value. "
+                    "Otherwise all the fields must be empty"
                 )
                 raise UnsupportedResourcesError(msg)
         self.scheduler_kwargs = self.scheduler_kwargs or {}
 
+    def _check_no_values(self) -> bool:
+        """
+        Check if all the attributes are None or empty
+        """
+        for f in fields(self):
+            if self.__getattribute__(f.name):
+                return False
+
+        return True
+
+    def check_empty(self) -> bool:
+        """
+        Check if the QResouces is empty and its content is coherent.
+        Raises an error if process_placement is None, but some attributes are set.
+        """
+        if self.process_placement is not None:
+            return False
+        if not self._check_no_values():
+            raise ValueError("process_placement is None, but some values are set")
+        return True
+
     @classmethod
     def no_constraints(cls, processes, **kwargs):
         if "nodes" in kwargs or "processes_per_node" in kwargs:

src/qtoolkit/io/base.py

@@ -75,7 +75,8 @@ def generate_header(self, options: dict | QResources | None) -> str:
         options = options or {}
 
         if isinstance(options, QResources):
-            options = self.check_convert_qresources(options)
+            if not options.check_empty():
+                options = self.check_convert_qresources(options)
 
         template = QTemplate(self.header_template)
 

src/qtoolkit/io/shell.py

@@ -255,9 +255,11 @@
         """
         Converts a QResources instance to a dict that will be used to fill in the
         header of the submission script.
-        Not implemented for ShellIO
+        Only an empty QResources is accepted in ShellIO.
         """
-        raise UnsupportedResourcesError  # pragma: no cover
+        if not resources.check_empty():
+            raise UnsupportedResourcesError  # pragma: no cover
+        return {}
 
     @property
     def supported_qresources_keys(self) -> list:

src/qtoolkit/io/slurm.py

@@ -88,6 +88,7 @@
 
 
 class SlurmState(QSubState):
+    BOOT_FAIL = "BOOT_FAIL", "BF"
     CANCELLED = "CANCELLED", "CA"
     COMPLETING = "COMPLETING", "CG"
     COMPLETED = "COMPLETED", "CD"
@@ -97,7 +98,17 @@ class SlurmState(QSubState):
     NODE_FAIL = "NODE_FAIL", "NF"
     OUT_OF_MEMORY = "OUT_OF_MEMORY", "OOM"
     PENDING = "PENDING", "PD"
+    PREEMPTED = "PREEMPTED", "PR"
+    RESV_DEL_HOLD = "RESV_DEL_HOLD", "RD"
+    REQUEUE_FED = "REQUEUE_FED", "RF"
+    REQUEUE_HOLD = "REQUEUE_HOLD", "RH"
+    RESIZING = "RESIZING", "RS"
+    REVOKED = "REVOKED", "RV"
     RUNNING = "RUNNING", "R"
+    SIGNALING = "SIGNALING", "SI"
+    SPECIAL_EXIT = "SPECIAL_EXIT", "SE"
+    STAGE_OUT = "STAGE_OUT", "SO"
+    STOPPED = "STOPPED", "ST"
     SUSPENDED = "SUSPENDED", "S"
     TIMEOUT = "TIMEOUT", "TO"
 
@@ -108,7 +119,8 @@ def qstate(self) -> QState:
 
 
 _STATUS_MAPPING = {
-    SlurmState.CANCELLED: QState.SUSPENDED,  # Should this be failed ?
+    SlurmState.BOOT_FAIL: QState.FAILED,
+    SlurmState.CANCELLED: QState.FAILED,
     SlurmState.COMPLETING: QState.RUNNING,
     SlurmState.COMPLETED: QState.DONE,
     SlurmState.CONFIGURING: QState.QUEUED,
@@ -117,7 +129,17 @@ def qstate(self) -> QState:
     SlurmState.NODE_FAIL: QState.FAILED,
     SlurmState.OUT_OF_MEMORY: QState.FAILED,
     SlurmState.PENDING: QState.QUEUED,
+    SlurmState.PREEMPTED: QState.FAILED,
+    SlurmState.RESV_DEL_HOLD: QState.QUEUED_HELD,
+    SlurmState.REQUEUE_FED: QState.QUEUED,
+    SlurmState.REQUEUE_HOLD: QState.QUEUED,
+    SlurmState.RESIZING: QState.RUNNING,
+    SlurmState.REVOKED: QState.FAILED,
     SlurmState.RUNNING: QState.RUNNING,
+    SlurmState.SIGNALING: QState.RUNNING,
+    SlurmState.SPECIAL_EXIT: QState.FAILED,
+    SlurmState.STAGE_OUT: QState.RUNNING,
+    SlurmState.STOPPED: QState.RUNNING,
     SlurmState.SUSPENDED: QState.SUSPENDED,
     SlurmState.TIMEOUT: QState.FAILED,
 }

tests/core/test_data_objects.py

@@ -238,6 +238,16 @@ def test_no_process_placement(self):
         ):
             QResources(processes=8, processes_per_node=2)
 
+        with pytest.raises(
+            UnsupportedResourcesError,
+            match=r"When process_placement is None either define only nodes "
+            r"plus processes_per_node or only processes",
+        ):
+            QResources(project="xxx")
+
+        # This is acceptable for empty process placement and no details passed
+        assert QResources()
+
     @pytest.mark.skipif(monty is None, reason="monty is not installed")
     def test_msonable(self, test_utils):
         qr1 = QResources(
@@ -534,6 +544,25 @@ def test_get_processes_distribution(self):
         )
         proc_distr = qr.get_processes_distribution()
         assert proc_distr == ["a", "b", "c"]
+        qr = QResources(
+            process_placement=None,
+        )
+        proc_distr = qr.get_processes_distribution()
+        assert proc_distr == [None, None, None]
+
+    def test_is_empty(self):
+        qr = QResources()
+        assert qr.check_empty()
+
+        qr = QResources(process_placement=ProcessPlacement.NO_CONSTRAINTS, processes=10)
+        assert not qr.check_empty()
+
+        qr = QResources(process_placement=None)
+        qr.processes = 10
+        with pytest.raises(
+            ValueError, match="process_placement is None, but some values are set"
+        ):
+            qr.check_empty()
 
 
 class TestQJobInfo: