Mark final summarize jobs complete.

glotzerlab · Oct 31, 2024 · fa71263 · fa71263
1 parent 5534954
commit fa71263
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Showing 8 changed files with 68 additions and 2 deletions.
diff --git a/hoomd_validation/alj_2d.py b/hoomd_validation/alj_2d.py
@@ -6,6 +6,7 @@
 import itertools
 import math
 import os
+from pathlib import Path
 
 try:
     import hoomd
@@ -450,13 +451,18 @@ def plot(*, ax, data, quantity_name, legend=False):
 
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the job complete
+    for job in jobs:
+        Path(job.fn('conservation_analyze_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.conservation_analyze',
     Action(
         method=conservation_analyze,
         configuration={
             'previous_actions': nve_md_sampling_jobs,
+            'products': ['conservation_analyze_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},

diff --git a/hoomd_validation/hard_disk.py b/hoomd_validation/hard_disk.py
@@ -6,6 +6,7 @@
 import itertools
 import json
 import os
+from pathlib import Path
 
 try:
     import hoomd
@@ -795,13 +796,18 @@ def compare_modes(*jobs):
     filename = f'hard_disk_compare_density{round(set_density, 2)}.svg'
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('compare_modes_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.compare_modes',
     Action(
         method=compare_modes,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['compare_modes_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},

diff --git a/hoomd_validation/hard_sphere.py b/hoomd_validation/hard_sphere.py
@@ -5,6 +5,7 @@
 
 import itertools
 import os
+from pathlib import Path
 
 try:
     import hoomd
@@ -651,13 +652,18 @@ def compare_modes(*jobs):
     filename = f'hard_sphere_compare_density{round(set_density, 2)}.svg'
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('compare_modes_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.compare_modes',
     Action(
         method=compare_modes,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['compare_modes_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},

diff --git a/hoomd_validation/lj_fluid.py b/hoomd_validation/lj_fluid.py
@@ -8,6 +8,7 @@
 import json
 import math
 import os
+from pathlib import Path
 
 try:
     import hoomd
@@ -1076,13 +1077,18 @@ def compare_modes(*jobs):
 
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('compare_modes_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.compare_modes',
     Action(
         method=compare_modes,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['compare_modes_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},
@@ -1241,13 +1247,18 @@ def distribution_analyze(*jobs):
     )
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('distribution_analyze_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.distribution_analyze',
     Action(
         method=distribution_analyze,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['distribution_analyze_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},
@@ -1472,13 +1483,18 @@ def plot(*, ax, data, quantity_name, legend=False):
 
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('conservation_analyze_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.conservation_analyze',
     Action(
         method=conservation_analyze,
         configuration={
             'previous_actions': nve_md_sampling_jobs,
+            'products': ['conservation_analyze_complete'],
             'group': _group_compare | _include_nve,
             'resources': {
                 'processes': {'per_submission': 1},

diff --git a/hoomd_validation/lj_union.py b/hoomd_validation/lj_union.py
@@ -8,6 +8,7 @@
 import json
 import math
 import os
+from pathlib import Path
 
 try:
     import hoomd
@@ -1095,13 +1096,18 @@ def compare_modes(*jobs):
     filename = f'lj_union_compare_kT{kT}_density{round(set_density, 2)}.svg'
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('compare_modes_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.compare_modes',
     Action(
         method=compare_modes,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['compare_modes_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},
@@ -1301,13 +1307,18 @@ def distribution_analyze(*jobs):
     )
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('distribution_analyze_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.distribution_analyze',
     Action(
         method=distribution_analyze,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['distribution_analyze_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},
@@ -1528,13 +1539,18 @@ def plot(*, ax, data, quantity_name, legend=False):
 
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('conservation_analyze_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.conservation_analyze',
     Action(
         method=conservation_analyze,
         configuration={
             'previous_actions': nve_md_sampling_jobs,
+            'products': ['conservation_analyze_complete'],
             'group': _group_compare | _include_nve,
             'resources': {
                 'processes': {'per_submission': 1},

diff --git a/hoomd_validation/patchy_particle_pressure.py b/hoomd_validation/patchy_particle_pressure.py
@@ -6,6 +6,7 @@
 import itertools
 import json
 import os
+from pathlib import Path
 
 try:
     import hoomd
@@ -807,13 +808,18 @@ def compare_modes(*jobs):
         transparent=False,
     )
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('compare_modes_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.compare_modes',
     Action(
         method=compare_modes,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['compare_modes_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},

diff --git a/hoomd_validation/simple_polygon.py b/hoomd_validation/simple_polygon.py
@@ -6,6 +6,7 @@
 import itertools
 import json
 import os
+from pathlib import Path
 
 try:
     import hoomd
@@ -659,13 +660,18 @@ def compare_modes(*jobs):
     filename = f'simple_polygon_compare_density{round(set_density, 2)}.svg'
     fig.savefig(os.path.join(jobs[0]._project.path, filename), bbox_inches='tight')
 
+    # mark the action complete
+    for job in jobs:
+        Path(job.fn('compare_modes_complete').touch())
+
 
 ValidationWorkflow.add_action(
     f'{__name__}.compare_modes',
     Action(
         method=compare_modes,
         configuration={
             'previous_actions': [f'{__name__}.analyze'],
+            'products': ['compare_modes_complete'],
             'group': _group_compare,
             'resources': {
                 'processes': {'per_submission': 1},

diff --git a/hoomd_validation/workflow.py b/hoomd_validation/workflow.py
@@ -13,6 +13,7 @@
 
 import argparse
 import subprocess
+import warnings
 from pathlib import Path
 
 import rtoml
@@ -77,6 +78,9 @@ def add_action(cls, name, action):
             message = f'Action {name} cannot be added twice.'
             raise ValueError(message)
 
+        if 'products' not in action._configuration:
+            warnings.warn(f"Action {name} is missing products.", stacklevel=2)
+
         cls._actions[name] = action
 
     @classmethod
@@ -138,10 +142,10 @@ def main(cls, init=None, init_args=None, **kwargs):
         as options to the ``init`` subparser with ``add_argument``.
 
         Args:
-            init(callable): User-provided initializaiton routine. Must take one
+            init(callable): User-provided initialization routine. Must take one
                 argument: ``args`` - the ``argparse`` parsed arguments.
             init_args(list[str]): List of args to add to the ``init`` subparser.
-            **kwargs: Fowarded to `make_workflow`.
+            **kwargs: Forwarded to `make_workflow`.
         """
         parser = argparse.ArgumentParser()
         command = parser.add_subparsers(dest='command', required=True)