Merge branch 'develop' into feature/warn_on_nested_mpi

.wci.yml

@@ -17,8 +17,8 @@ description: |
 language: Python
 
 release:
-  version: 0.10.0
-  date: 2023-05-26
+  version: 0.10.1
+  date: 2023-07-10
 
 documentation:
   general: https://libensemble.readthedocs.io

CHANGELOG.rst

@@ -8,6 +8,26 @@ GitHub issues are referenced, and can be viewed with hyperlinks on the `github r
 
 .. _`github releases page`: https://github.com/Libensemble/libensemble/releases
 
+Release 0.10.1
+--------------
+
+:Date: July 10, 2023
+
+Hotfix for breaking changes in Pydantic.
+
+* Pin Pydantic to version < 2.
+* Minor fixes for NumPy 1.25 deprecations.
+
+:Note:
+
+* Tested platforms include Linux, MacOS, Windows and major systems including Frontier (OLCF) and Perlmutter (NERSC). The major system tests ran heterogeneous workflows.
+* Tested Python versions: (Cpython) 3.7, 3.8, 3.9, 3.10, 3.11.
+
+:Known issues:
+
+* See known issues section in the documentation.
+
+
 Release 0.10.0
 --------------
 

docs/dev_guide/release_management/release_process.rst

@@ -17,7 +17,7 @@ Before release
   date, including a list of supported (tested) platforms.
 
 - Version number is updated wherever it appears (and ``+dev`` suffix is removed)
-  (in ``libensemble/version.py``and ``README.rst``).
+  (in ``libensemble/version.py``).
 
 - Year in ``README.rst`` under *Citing libEnsemble* is checked for correctness.
   (Note: The year generated in docs by ``docs/conf.py`` should be automatic).

libensemble/executors/executor.py

@@ -13,11 +13,11 @@
 import itertools
 import logging
 import os
-from pathlib import Path
 import shutil
 import stat
 import sys
 import time
+from pathlib import Path
 from typing import Any, Optional, Union
 
 import libensemble.utils.launcher as launcher

libensemble/resources/gpu_detect.py

@@ -1,5 +1,5 @@
-import os
 import ast
+import os
 import subprocess
 
 

libensemble/resources/node_resources.py

@@ -7,9 +7,11 @@
 import logging
 import os
 from typing import Optional, Tuple
+
 import psutil
-from libensemble.resources.gpu_detect import get_num_gpus, get_gpus_from_env
+
 from libensemble.resources.env_resources import EnvResources
+from libensemble.resources.gpu_detect import get_gpus_from_env, get_num_gpus
 
 logger = logging.getLogger(__name__)
 

libensemble/resources/rset_resources.py

@@ -1,6 +1,7 @@
-import numpy as np
 import logging
 
+import numpy as np
+
 logger = logging.getLogger(__name__)
 # To change logging level for just this module
 # logger.setLevel(logging.DEBUG)

libensemble/sim_funcs/six_hump_camel.py

@@ -13,14 +13,10 @@
 
 import sys
 import time
+
 import numpy as np
 
-from libensemble.message_numbers import (
-    EVAL_SIM_TAG,
-    FINISHED_PERSISTENT_SIM_TAG,
-    PERSIS_STOP,
-    STOP_TAG,
-)
+from libensemble.message_numbers import EVAL_SIM_TAG, FINISHED_PERSISTENT_SIM_TAG, PERSIS_STOP, STOP_TAG
 from libensemble.tools.persistent_support import PersistentSupport
 
 

libensemble/sim_funcs/var_resources.py

@@ -23,6 +23,7 @@
 ]
 
 import os
+
 import numpy as np
 
 from libensemble.executors.executor import Executor

libensemble/tests/scaling_tests/forces/forces_gpu_persis_gen/run_libe_forces.py

@@ -20,17 +20,17 @@
 import numpy as np
 from forces_simf import run_forces  # Sim func from current dir
 
+from libensemble.alloc_funcs.start_only_persistent import only_persistent_gens as alloc_f
 from libensemble.executors import MPIExecutor
 
 # Fixed resources (one resource set per worker) - persistent gen
 from libensemble.gen_funcs.persistent_sampling import persistent_uniform as gen_f
-from libensemble.alloc_funcs.start_only_persistent import only_persistent_gens as alloc_f
+from libensemble.libE import libE
+from libensemble.tools import add_unique_random_streams, parse_args
 
 # Uncomment for var resources (checksum will change due to rng differences)
 # from libensemble.gen_funcs.persistent_sampling_var_resources import uniform_sample as gen_f
 
-from libensemble.libE import libE
-from libensemble.tools import add_unique_random_streams, parse_args
 
 # Parse number of workers, comms type, etc. from arguments
 nworkers, is_manager, libE_specs, _ = parse_args()

libensemble/tests/scaling_tests/forces/forces_multi_task/run_libe_forces.py

@@ -20,15 +20,15 @@
 import numpy as np
 from forces_simf import run_forces  # Sim func from current dir
 
+from libensemble.alloc_funcs.start_only_persistent import only_persistent_gens as alloc_f
 from libensemble.executors import MPIExecutor
+from libensemble.gen_funcs.persistent_sampling_var_resources import uniform_sample_diff_simulations as gen_f
+from libensemble.libE import libE
+from libensemble.tools import add_unique_random_streams, parse_args
 
 # Fixed resources (one resource set per worker)
 # from libensemble.gen_funcs.sampling import uniform_random_sample as gen_f
 
-from libensemble.gen_funcs.persistent_sampling_var_resources import uniform_sample_diff_simulations as gen_f
-from libensemble.alloc_funcs.start_only_persistent import only_persistent_gens as alloc_f
-from libensemble.libE import libE
-from libensemble.tools import add_unique_random_streams, parse_args
 
 # Parse number of workers, comms type, etc. from arguments
 nworkers, is_manager, libE_specs, _ = parse_args()

libensemble/tests/unit_tests/test_allocation_funcs_and_support.py

@@ -1,16 +1,16 @@
 import numpy as np
+import pytest
 
 import libensemble.manager as man
 import libensemble.tests.unit_tests.setup as setup
 from libensemble.alloc_funcs.give_sim_work_first import give_sim_work_first
 from libensemble.history import History
 from libensemble.message_numbers import EVAL_GEN_TAG, EVAL_SIM_TAG
 from libensemble.resources.resources import Resources
-from libensemble.resources.scheduler import ResourceScheduler, InsufficientResourcesError
+from libensemble.resources.scheduler import InsufficientResourcesError, ResourceScheduler
 from libensemble.tools import add_unique_random_streams
 from libensemble.tools.alloc_support import AllocException, AllocSupport
 from libensemble.tools.fields_keys import libE_fields
-import pytest
 
 al = {"alloc_f": give_sim_work_first}
 libE_specs = {"comms": "local", "nworkers": 4}

libensemble/tests/unit_tests/test_executor_gpus.py

@@ -4,9 +4,8 @@
 
 from libensemble.executors.executor import Executor
 from libensemble.executors.mpi_executor import MPIExecutor
-from libensemble.resources.resources import Resources
 from libensemble.resources.platforms import get_platform
-
+from libensemble.resources.resources import Resources
 
 NCORES = 1
 build_sims = ["my_simtask.c", "my_serialtask.c", "c_startup.c"]

libensemble/tests/unit_tests_nompi/test_aaa_comms.py

@@ -10,6 +10,7 @@
 
 import signal
 import time
+
 import libensemble.comms.comms as comms
 
 

libensemble/tools/alloc_support.py

@@ -4,11 +4,7 @@
 
 from libensemble.message_numbers import EVAL_GEN_TAG, EVAL_SIM_TAG
 from libensemble.resources.resources import Resources
-from libensemble.resources.scheduler import (
-    InsufficientFreeResources,
-    InsufficientResourcesError,
-    ResourceScheduler,
-)  # noqa: F401
+from libensemble.resources.scheduler import InsufficientFreeResources, InsufficientResourcesError, ResourceScheduler
 from libensemble.utils.misc import extract_H_ranges
 
 logger = logging.getLogger(__name__)

libensemble/version.py

@@ -1 +1 @@
-__version__ = "0.10.0+dev"
+__version__ = "0.10.1+dev"

setup.py

@@ -69,7 +69,7 @@ def run_tests(self):
         "libensemble.tests.unit_tests",
         "libensemble.tests.regression_tests",
     ],
-    install_requires=["numpy", "psutil", "setuptools", "pydantic", "tomli", "pyyaml"],
+    install_requires=["numpy", "psutil", "setuptools", "pydantic<2", "tomli", "pyyaml"],
     # If run tests through setup.py - downloads these but does not install
     tests_require=[
         "pytest>=3.1",