hotfix changes for pydantic versions and .pre-commit-config.yaml -> main

.github/workflows/ci.yml

@@ -131,7 +131,7 @@ jobs:
             conda env update --file install/gen_deps_environment.yml
 
             pip install ax-platform==0.2.8
-            pip install --upgrade git+https://github.com/mosesyhc/surmise.git@development/PCGPwM
+            pip install --upgrade git+https://github.com/surmising/surmise.git@develop
 
         - name: Build ytopt and dependencies
           if: matrix.python-version != '3.11' && matrix.os != 'windows-latest' && matrix.os != 'macos-latest'

.pre-commit-config.yaml

@@ -8,7 +8,7 @@ repos:
       exclude: ^(.*\.xml|.*\.svg)$
 
 - repo: https://github.com/pycqa/isort
-  rev: 5.11.4
+  rev: 5.12.0
   hooks:
     - id: isort
       args: [--profile=black, --line-length=120]

.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/gen_funcs/persistent_fd_param_finder.py

@@ -88,7 +88,7 @@ def fd_param_finder(H, persis_info, gen_specs, libE_info):
             for k in range(nf + 1):
                 if k != nf / 2:
                     logical_conds = (calc_in["x_ind"] == i, calc_in["f_ind"] == j, calc_in["n_ind"] == k)
-                    Fhist0[i, j, k] = calc_in["f_val"][np.logical_and.reduce(logical_conds)]
+                    Fhist0[i, j, k] = calc_in["f_val"][np.logical_and.reduce(logical_conds)][0]
 
             # Compute noise for (i, j):
             # [Fnoise(i, j), ~, inform(i, j)] = ECnoise(nf-1, Fhist0(i, j, 2:nf));

libensemble/resources/scheduler.py

@@ -373,7 +373,7 @@ def assign_team_from_slots(self, slots_avail_by_group, cand_groups, cand_slots,
                     break
                 group = self.resources.rsets["group"] == grp
                 slot = self.resources.rsets["slot"] == slot
-                rset = int(np.where(group & slot)[0])
+                rset = np.nonzero(group & slot)[0][0]
                 rset_team.append(rset)
         return sorted(rset_team)
 

libensemble/sim_funcs/borehole.py

@@ -65,7 +65,7 @@ def borehole_func(x):
     denom1 = 2 * L * Tu / (np.log(r / rw) * rw**2 * Kw)
     denom2 = Tu / Tl
 
-    return (numer / (np.log(r / rw) * (1 + denom1 + denom2))).reshape(-1)
+    return ((numer / (np.log(r / rw) * (1 + denom1 + denom2))).reshape(-1))[0]
 
 
 def gen_borehole_input(n):

libensemble/sim_funcs/rosenbrock.py

@@ -31,7 +31,7 @@ def EvaluateFunction(x, component):
         x2 = x[2 * i + 1]
         f = 100 * (x1**2 - x2) ** 2 + (x1 - 1) ** 2
 
-    return f
+    return f[0]
 
 
 def EvaluateJacobian(x, component, const):

libensemble/tests/regression_tests/test_evaluate_mixed_sample.py

@@ -14,6 +14,8 @@
 # TESTSUITE_COMMS: mpi local tcp
 # TESTSUITE_NPROCS: 2 4
 
+import warnings
+
 import numpy as np
 
 from libensemble.alloc_funcs.give_pregenerated_work import give_pregenerated_sim_work as alloc_f
@@ -24,6 +26,8 @@
 from libensemble.sim_funcs.borehole import borehole_func, gen_borehole_input
 from libensemble.tools import parse_args, save_libE_output
 
+warnings.filterwarnings("ignore", category=DeprecationWarning)
+
 # Main block is necessary only when using local comms with spawn start method (default on macOS and Windows).
 if __name__ == "__main__":
     nworkers, is_manager, libE_specs, _ = parse_args()

libensemble/tests/regression_tests/test_ytopt_heffte.py

@@ -21,6 +21,7 @@
 warnings.filterwarnings("ignore", category=ImportWarning)
 warnings.filterwarnings("ignore", category=FutureWarning)
 warnings.filterwarnings("ignore", category=RuntimeWarning)
+warnings.filterwarnings("ignore", category=DeprecationWarning)
 
 import os
 import secrets

libensemble/version.py

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

setup.py

@@ -70,7 +70,7 @@ def run_tests(self):
         "libensemble.tests.regression_tests",
     ],
     package_data={"libensemble.sim_funcs.branin": ["known_minima_and_func_values"]},
-    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",