Migrate ExitCriteria parameters to Ensemble.run()

docs/examples/calling_scripts.rst

@@ -47,6 +47,6 @@ paired with a gest-api ``simulator`` callable.
     :language: python
     :caption: tests/regression_tests/test_aposmm_nlopt.py
     :linenos:
-    :end-before:     # Perform the run
+    :end-at: H, _, _ = workflow.run(sim_max=3000, wallclock_max=600)
 
 .. _regression tests: https://github.com/Libensemble/libensemble/tree/develop/libensemble/tests/regression_tests

docs/function_guides/allocator.rst

@@ -211,20 +211,20 @@ Deprecated Allocation Functions
 
    - Functions that managed non-persistent generators (``fast_alloc``, ``fast_alloc_and_pausing``,
      ``only_one_gen_alloc``) should be replaced with
-     :func:`~libensemble.alloc_funcs.give_sim_work_first.give_sim_work_first` or the default
-     :func:`~libensemble.alloc_funcs.start_only_persistent.only_persistent_gens` with a
+     :func:`~give_sim_work_first.give_sim_work_first` or the default
+     :func:`~start_only_persistent.only_persistent_gens` with a
      persistent generator.
    - APOSMM-adjacent functions (``start_persistent_local_opt_gens``, ``start_fd_persistent``)
      should migrate to
-     :func:`~libensemble.alloc_funcs.persistent_aposmm_alloc.persistent_aposmm_alloc`.
+     :func:`~persistent_aposmm_alloc.persistent_aposmm_alloc`.
    - ``inverse_bayes_allocf`` should be replaced with the default ``only_persistent_gens``
      combined with a persistent generator that implements the required batch/subbatch logic.
 
 fast_alloc
 ----------
 .. deprecated:: 2.0
-   Use :func:`~libensemble.alloc_funcs.give_sim_work_first.give_sim_work_first` or the default
-   :func:`~libensemble.alloc_funcs.start_only_persistent.only_persistent_gens` instead.
+   Use :func:`~give_sim_work_first.give_sim_work_first` or the default
+   :func:`~start_only_persistent.only_persistent_gens` instead.
    Will be removed in libEnsemble 2.1.
 
 .. automodule:: fast_alloc
@@ -234,7 +234,7 @@ fast_alloc
 fast_alloc_and_pausing
 ----------------------
 .. deprecated:: 2.0
-   Use the default :func:`~libensemble.alloc_funcs.start_only_persistent.only_persistent_gens`
+   Use the default :func:`~start_only_persistent.only_persistent_gens`
    with a persistent generator instead. Will be removed in libEnsemble 2.1.
 
 .. automodule:: fast_alloc_and_pausing
@@ -244,9 +244,9 @@ fast_alloc_and_pausing
 only_one_gen_alloc
 ------------------
 .. deprecated:: 2.0
-   Use :func:`~libensemble.alloc_funcs.give_sim_work_first.give_sim_work_first` with
+   Use :func:`~give_sim_work_first.give_sim_work_first` with
    ``num_active_gens=1``, or the default
-   :func:`~libensemble.alloc_funcs.start_only_persistent.only_persistent_gens` instead.
+   :func:`~start_only_persistent.only_persistent_gens` instead.
    Will be removed in libEnsemble 2.1.
 
 .. automodule:: only_one_gen_alloc
@@ -256,7 +256,7 @@ only_one_gen_alloc
 start_fd_persistent
 -------------------
 .. deprecated:: 2.0
-   Use the default :func:`~libensemble.alloc_funcs.start_only_persistent.only_persistent_gens`
+   Use the default :func:`~start_only_persistent.only_persistent_gens`
    with a persistent generator instead. Will be removed in libEnsemble 2.1.
 
 .. automodule:: start_fd_persistent
@@ -266,7 +266,7 @@ start_fd_persistent
 start_persistent_local_opt_gens
 -------------------------------
 .. deprecated:: 2.0
-   Use :func:`~libensemble.alloc_funcs.persistent_aposmm_alloc.persistent_aposmm_alloc`
+   Use :func:`~persistent_aposmm_alloc.persistent_aposmm_alloc`
    instead. Will be removed in libEnsemble 2.1.
 
 .. automodule:: start_persistent_local_opt_gens
@@ -276,7 +276,7 @@ start_persistent_local_opt_gens
 inverse_bayes_allocf
 --------------------
 .. deprecated:: 2.0
-   Use the default :func:`~libensemble.alloc_funcs.start_only_persistent.only_persistent_gens`
+   Use the default :func:`~start_only_persistent.only_persistent_gens`
    with a persistent generator instead. Will be removed in libEnsemble 2.1.
 
 .. automodule:: inverse_bayes_allocf

docs/libe_module.rst

@@ -3,6 +3,6 @@
 Running an Ensemble
 ===================
 
-.. autoclass:: libensemble.ensemble.Ensemble()
+.. autoclass:: libensemble.ensemble.Ensemble
    :members:
    :no-undoc-members:

docs/nitpicky

@@ -58,6 +58,8 @@ py:class comm
 py:class communicator
 
 # Additional nitpicky targets from recent Sphinx warnings
+py:class ..
+py:class libensemble._deprecation.LibEnsembleDeprecationWarning
 py:class libensemble.resources.platforms.Lumi
 py:class libensemble.resources.platforms.LumiGPU
 py:class numpy._typing._array_like._ScalarT

docs/platforms/aurora.rst

@@ -56,8 +56,8 @@ simulations for each worker:
 
 .. code-block:: python
 
-    # Instruct libEnsemble to exit after this many simulations
-    ensemble.exit_criteria = ExitCriteria(sim_max=nsim_workers * 2)
+    # Run ensemble; exit after this many simulations
+    ensemble.run(sim_max=nsim_workers * 2)
 
 Now grab an interactive session on two nodes (or use the batch script at
 ``../submission_scripts/submit_pbs_aurora.sh``)::

docs/tutorials/aposmm_tutorial.rst

@@ -105,7 +105,7 @@ libEnsemble classes, APOSMM, and our simulator callable:
     from libensemble import Ensemble
     from libensemble.gen_classes import APOSMM
     from gest_api.vocs import VOCS
-    from libensemble.specs import SimSpecs, GenSpecs, ExitCriteria
+    from libensemble.specs import SimSpecs, GenSpecs
 
 APOSMM supports a wide variety of external optimizers. The ``rc.aposmm_optimizers``
 statement above indicates to APOSMM which optimization method package to use,
@@ -156,9 +156,8 @@ Finally, we configure the simulation function, exit criteria, and run the workfl
     :linenos:
 
         workflow.sim_specs = SimSpecs(simulator=six_hump_camel_func, vocs=vocs)
-        workflow.exit_criteria = ExitCriteria(sim_max=2000)
 
-        H, _, _ = workflow.run()
+        H, _, _ = workflow.run(sim_max=2000)
 
         if workflow.is_manager:
             # We can map our variables back to an array for easy printing

docs/tutorials/executor_forces_tutorial.rst

@@ -90,8 +90,8 @@ exit after running eight simulations, and finally we :doc:`run<../libe_module>`
 .. literalinclude:: ../../libensemble/tests/functionality_tests/test_executor_forces_tutorial.py
     :language: python
     :linenos:
-    :start-at: Instruct libEnsemble
-    :end-at: ensemble.run()
+    :start-at: # Run ensemble; exit after this many simulations
+    :end-at: ensemble.run(sim_max=8)
     :lineno-start: 55
 
 Exercise

docs/tutorials/gpcam_tutorial.rst

@@ -210,7 +210,7 @@ If you wish to make your own functions based on the above, those can be imported
     from pprint import pprint
 
     from libensemble import Ensemble
-    from libensemble.specs import LibeSpecs, GenSpecs, SimSpecs, AllocSpecs, ExitCriteria
+    from libensemble.specs import LibeSpecs, GenSpecs, SimSpecs, AllocSpecs
 
     # If importing from libensemble
     from libensemble.gen_funcs.persistent_gpCAM import persistent_gpCAM
@@ -256,15 +256,12 @@ If you wish to make your own functions based on the above, those can be imported
         user={"async_return": False},  # False = batch returns
     )
 
-    exit_criteria = ExitCriteria(sim_max=num_batches * batch_size)
-
-    # Initialize and run the ensemble.
+    # Initialize the ensemble.
     ensemble = Ensemble(
         libE_specs=libE_specs,
         sim_specs=sim_specs,
         gen_specs=gen_specs,
         alloc_specs=alloc_specs,
-        exit_criteria=exit_criteria,
     )
 
 At the end of our calling script we run the ensemble.
@@ -275,7 +272,7 @@ At the end of our calling script we run the ensemble.
     cleanup()
     ensemble.persis_info = {}
 
-    H, persis_info, flag = ensemble.run()  # Start the ensemble. Blocks until completion.
+    H, persis_info, flag = ensemble.run(sim_max=num_batches * batch_size)  # Start the ensemble. Blocks until completion.
     ensemble.save_output("H_array", append_attrs=False)  # Save H (history of all evaluated points) to file
     pprint(H[["sim_id", "x", "f"]][:16])  # See first 16 results
 
@@ -293,7 +290,7 @@ To see how the accuracy of the surrogate model improves, we can use previously e
     cleanup()
     ensemble.persis_info = {}
 
-    H, persis_info, flag = ensemble.run()
+    H, persis_info, flag = ensemble.run(sim_max=num_batches * batch_size)
     print(persis_info)
 
 Viewing model progression

docs/tutorials/local_sine_tutorial/local_sine_tutorial_4.rst

@@ -40,8 +40,8 @@ libEnsemble should stop execution in :ref:`ExitCriteria<datastruct-exit-criteria
     :language: python
     :linenos:
     :lineno-start: 26
-    :start-at: exit_criteria = ExitCriteria
-    :end-at: exit_criteria = ExitCriteria
+    :start-at: ensemble = Ensemble
+    :end-at: ensemble.run
 
 Now we're ready to write our libEnsemble :doc:`libE<../../programming_libE>`
 function call. :ref:`ensemble.H<funcguides-history>` is the final version of

docs/tutorials/xopt_bayesian_gen.rst

@@ -25,7 +25,7 @@ Imports
 
     from libensemble import Ensemble
     from libensemble.alloc_funcs.start_only_persistent import only_persistent_gens as alloc_f
-    from libensemble.specs import AllocSpecs, ExitCriteria, GenSpecs, LibeSpecs, SimSpecs
+    from libensemble.specs import AllocSpecs, GenSpecs, LibeSpecs, SimSpecs
 
 Simulator Function
 ------------------
@@ -93,17 +93,15 @@ The simulator is a simple callable function that takes a dictionary of inputs an
     )
 
     alloc_specs = AllocSpecs(alloc_f=alloc_f)
-    exit_criteria = ExitCriteria(sim_max=12)
 
     workflow = Ensemble(
         libE_specs=libE_specs,
         sim_specs=sim_specs,
         alloc_specs=alloc_specs,
         gen_specs=gen_specs,
-        exit_criteria=exit_criteria,
     )
 
-    H, _, _ = workflow.run()
+    H, _, _ = workflow.run(sim_max=12)
 
     if workflow.is_manager:
         print(f"Completed {len(H)} simulations")
@@ -158,10 +156,9 @@ Reset generator and change to libEnsemble-style simulator:
         sim_specs=sim_specs,
         alloc_specs=alloc_specs,
         gen_specs=gen_specs,
-        exit_criteria=exit_criteria,
     )
 
-    H, _, _ = workflow.run()
+    H, _, _ = workflow.run(sim_max=12)
 
     if workflow.is_manager:
         print(f"Completed {len(H)} simulations")

install/install_minq.sh

@@ -1,8 +1,26 @@
 #!/usr/bin/env bash
 
+set -euo pipefail
+
+# IBCDFO pins the exact MINQ commit it supports, and refuses to run (via
+# sys.exit) if the MINQ clone is at any other commit. Read the required SHA
+# from the installed ibcdfo package rather than hardcoding it here, so that
+# bumping ibcdfo in pixi.lock can never silently desynchronize the two.
+MINQ_COMMIT=$(python -c "
+import pathlib, ibcdfo
+print((pathlib.Path(ibcdfo.__file__).parent / 'PkgData' / 'REQUIRED_MINQ_COMMIT').read_text().strip())
+")
+
+if [ -z "$MINQ_COMMIT" ]; then
+    echo "ERROR: could not determine required MINQ commit from installed ibcdfo" >&2
+    exit 1
+fi
+
+echo "Installing MINQ at ibcdfo-required commit ${MINQ_COMMIT}"
+
 git clone https://github.com/POptUS/MINQ
-git -C MINQ checkout 7749b83645ea21e303a94e1200542f7028499bb8
+git -C MINQ checkout "$MINQ_COMMIT"
 pushd MINQ/py/minq5/
-export PYTHONPATH="$PYTHONPATH:$(pwd)"
-echo "PYTHONPATH=$PYTHONPATH" >> $GITHUB_ENV
+export PYTHONPATH="${PYTHONPATH:-}:$(pwd)"
+echo "PYTHONPATH=$PYTHONPATH" >> "${GITHUB_ENV:-/dev/null}"
 popd

libensemble/alloc_funcs/fast_alloc.py

@@ -12,7 +12,7 @@ def give_sim_work_first(W, H, sim_specs, gen_specs, alloc_specs, persis_info, li
     """
     .. deprecated:: 2.0
         ``fast_alloc.give_sim_work_first`` is deprecated and will be removed in libEnsemble 2.1.
-        Use :func:`libensemble.alloc_funcs.give_sim_work_first.give_sim_work_first` or the
+        Use :func:`give_sim_work_first.give_sim_work_first` or the
         default ``only_persistent_gens`` (with a persistent generator) instead.
 
     This allocation function gives (in order) entries in ``H`` to idle workers

libensemble/alloc_funcs/only_one_gen_alloc.py

@@ -12,7 +12,7 @@ def ensure_one_active_gen(W, H, sim_specs, gen_specs, alloc_specs, persis_info,
     """
     .. deprecated:: 2.0
         ``only_one_gen_alloc.ensure_one_active_gen`` is deprecated and will be removed in
-        libEnsemble 2.1. Use :func:`libensemble.alloc_funcs.give_sim_work_first.give_sim_work_first`
+        libEnsemble 2.1. Use :func:`give_sim_work_first.give_sim_work_first`
         with ``num_active_gens=1``, or the default ``only_persistent_gens`` instead.
 
     This allocation function gives (in order) entries in ``H`` to idle workers

libensemble/alloc_funcs/start_persistent_local_opt_gens.py

@@ -16,7 +16,7 @@ def start_persistent_local_opt_gens(W, H, sim_specs, gen_specs, alloc_specs, per
     .. deprecated:: 2.0
         ``start_persistent_local_opt_gens.start_persistent_local_opt_gens`` is deprecated and
         will be removed in libEnsemble 2.1. Use
-        :func:`libensemble.alloc_funcs.persistent_aposmm_alloc.persistent_aposmm_alloc` instead.
+        :func:`persistent_aposmm_alloc.persistent_aposmm_alloc` instead.
 
     This allocation function will do the following: