Merge pull request #1003 from Libensemble/refactor/ensemble_as_pydantic

Refactoring the Ensemble class somewhat

.github/workflows/ci.yml

@@ -221,7 +221,7 @@ jobs:
         - name: Activate API unit test if using mpich
           if: matrix.mpi-version == 'mpich'
           run: |
-            mv libensemble/tests/unit_tests/mpich-only_test_api.py libensemble/tests/unit_tests/test_alt_api.py
+            mv libensemble/tests/unit_tests/mpich-only_test_ensemble.py libensemble/tests/unit_tests/test_ensemble.py
 
         - name: Remove ytopt-heffte test on Python 3.11 (easy way)
           if: matrix.python-version == '3.11'

docs/data_structures/data_structures.rst

@@ -16,4 +16,3 @@ a complete libEnsemble workflow, or using the alternative yaml interface.
    alloc_specs
    persis_info
    exit_criteria
-   ensemble_specs

docs/libe_module.rst

@@ -1,8 +1,22 @@
 .. _libe-module:
 
-Main libE Module - Calling Script
-=================================
+Running an Ensemble
+===================
 
-.. automodule:: libensemble.libE
-   :members:
-   :no-undoc-members:
+libEnsemble features two approaches to run an ensemble. We recommend the newer Class
+approach, but will always support the classic ``libE()`` approach for backward
+compatibility.
+
+.. tab-set::
+
+   .. tab-item:: Ensemble Class
+
+      .. autoclass:: libensemble.ensemble.Ensemble()
+         :members:
+         :no-undoc-members:
+
+   .. tab-item:: libE()
+
+      .. automodule:: libensemble.libE
+         :members:
+         :no-undoc-members:

libensemble/__init__.py

@@ -11,7 +11,7 @@
 
 from libensemble import logger
 
-# try:
-#     from .api import Ensemble
-# except ModuleNotFoundError:
-#     pass
+try:
+    from .ensemble import Ensemble
+except ModuleNotFoundError:
+    pass