Merge pull request #2269 from paulromano/release-0.13.2

Release of version 0.13.2

CMakeLists.txt

@@ -3,8 +3,8 @@ project(openmc C CXX)
 
 # Set version numbers
 set(OPENMC_VERSION_MAJOR 0)
-set(OPENMC_VERSION_MINOR 14)
-set(OPENMC_VERSION_RELEASE 0)
+set(OPENMC_VERSION_MINOR 13)
+set(OPENMC_VERSION_RELEASE 2)
 set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 

docs/source/conf.py

@@ -69,9 +69,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = "0.14"
+version = "0.13"
 # The full version, including alpha/beta/rc tags.
-release = "0.14.0"
+release = "0.13.2"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

docs/source/io_formats/statepoint.rst

@@ -109,7 +109,8 @@ The current version of the statepoint file format is 17.0.
            - **y** (*double[]*) -- Interpolant values for energyfunction
              interpolation. Only used for 'energyfunction' filters.
 
-             :Attributes: - **interpolation** (*int*) -- Interpolation type. Only used for
+             :Attributes:
+                          - **interpolation** (*int*) -- Interpolation type. Only used for
                             'energyfunction' filters.
 
 **/tallies/derivatives/derivative <id>/**

docs/source/pythonapi/stats.rst

@@ -22,6 +22,12 @@ Univariate Probability Distributions
    openmc.stats.Legendre
    openmc.stats.Mixture
    openmc.stats.Normal
+
+.. autosummary::
+   :toctree: generated
+   :nosignatures:
+   :template: myfunction.rst
+
    openmc.stats.muir
 
 Angular Distributions

docs/source/releasenotes/0.13.2.rst

@@ -0,0 +1,99 @@
+====================
+What's New in 0.13.2
+====================
+
+.. currentmodule:: openmc
+
+-------
+Summary
+-------
+
+This release of OpenMC includes several bug fixes, performance improvements for
+complex geometries and depletion simulations, and other general enhancements.
+Notably, a capability has been added to compute the photon spectra from decay of
+unstable nuclides. Alongside that, a new :data:`openmc.config` configuration
+variable has been introduced that allows easier configuration of data sources.
+Additionally, users can now perform cell or material rejection when sampling
+external source distributions. Finally,
+
+------------------------------------
+Compatibility Notes and Deprecations
+------------------------------------
+
+- If you are building against libMesh for unstructured mesh tally support,
+  version 1.6 or higher is now required.
+- The ``openmc.stats.Muir`` class has been replaced by a
+  :func:`openmc.stats.muir` function that returns an instance of
+  :class:`openmc.stats.Normal`.
+
+------------
+New Features
+------------
+
+- The :meth:`openmc.Material.get_nuclide_atom_densities` method now takes an
+  optional ``nuclide`` argument.
+- Functions/methods in the :mod:`openmc.deplete` module now accept times in
+  Julian years (``'a'``).
+- The :meth:`openmc.Universe.plot` method now allows a pre-existing axes object
+  to be passed in.
+- Performance optimization for geometries with many complex regions.
+- Performance optimization for depletion by avoiding deepcopies and caching
+  reaction rates.
+- The :class:`openmc.RegularMesh` class now has a
+  :meth:`~openmc.RegularMesh.from_domain` classmethod.
+- The :class:`openmc.CylindricalMesh` class now has a
+  :meth:`~openmc.CylindricalMesh.from_domain` classmethod.
+- Improved method to condense diffusion coefficients from the :mod:`openmc.mgxs`
+  module.
+- A new :data:`openmc.config` configuration variable has been introduced that
+  allows data sources to be specified at runtime or via environment variables.
+- The :class:`openmc.EnergyFunctionFilter` class now supports multiple
+  interpolation schemes, not just linear-linear interpolation.
+- The :class:`openmc.DAGMCUniverse` class now has ``material_names``,
+  ``n_cells``, and ``n_surfaces`` attributes.
+- A new :func:`openmc.data.decay_photon_energy` function has been added that
+  returns the energy spectrum of photons emitted from the decay of an unstable
+  nuclide.
+- The :class:`openmc.Material` class also has a new
+  :attr:`~openmc.Material.decay_photon_energy` attribute that gives the decay
+  photon energy spectrum from the material based on its constituent nuclides.
+- The :class:`openmc.deplete.StepResult` now has a
+  :meth:`~openmc.deplete.StepResult.get_material` method.
+- The :class:`openmc.Source` class now takes a ``domains`` argument that
+  specifies a list of cells, materials, or universes that is used to reject
+  source sites (i.e., if the sampled sites are not within the specified domain,
+  they are rejected).
+
+---------
+Bug Fixes
+---------
+
+- `Delay call to Tally::set_strides <https://github.com/openmc-dev/openmc/pull/2183>`_
+- `Fix reading reference direction from XML for angular distributions <https://github.com/openmc-dev/openmc/pull/2204>`_
+- `Fix erroneous behavior in Material.add_components <https://github.com/openmc-dev/openmc/pull/2205>`_
+- `Fix reading thermal elastic data from ACE <https://github.com/openmc-dev/openmc/pull/2226>`_
+- `Fix reading source file with time attribute <https://github.com/openmc-dev/openmc/pull/2228>`_
+- `Fix conversion of multiple thermal scattering data files from ACE <https://github.com/openmc-dev/openmc/pull/2232>`_
+- `Fix reading values from wwinp file <https://github.com/openmc-dev/openmc/pull/2242>`_
+- `Handle possibility of .ppm file in Universe.plot <https://github.com/openmc-dev/openmc/pull/2251>`_
+- `Update volume calc types to mitigate overflow issues <https://github.com/openmc-dev/openmc/pull/2270>`_
+
+------------
+Contributors
+------------
+
+- `Lewis Gross <https://github.com/lewisgross1296>`_
+- `Andrew Johnson <https://github.com/drewejohnson>`_
+- `Miriam Kreher <https://github.com/mkreher13>`_
+- `James Logan <https://github.com/jlogan03>`_
+- `Jose Ignacio Marquez Damien <https://github.com/marquezj>`_
+- `Josh May <https://github.com/joshmay1>`_
+- `Patrick Myers <https://github.com/myerspat>`_
+- `Adam Nelson <https://github.com/nelsonag>`_
+- `April Novak <https://github.com/aprilnovak>`_
+- `Ethan Peterson <https://github.com/eepeterson>`_
+- `Gavin Ridley <https://github.com/gridley>`_
+- `Paul Romano <https://github.com/paulromano>`_
+- `Patrick Shriwise <https://github.com/pshriwise>`_
+- `Jonathan Shimwell <https://github.com/Shimwell>`_
+- `Olek Yardas <https://github.com/yardasol>`_

docs/source/releasenotes/index.rst

@@ -7,6 +7,7 @@ Release Notes
 .. toctree::
   :maxdepth: 1
 
+  0.13.2
   0.13.1
   0.13.0
   0.12.2

include/openmc/constants.h

@@ -340,11 +340,6 @@ enum class RunMode {
 
 enum class GeometryType { CSG, DAG };
 
-//==============================================================================
-// Volume Calculation Constants
-
-constexpr uint64_t UINT64_T_MAX {std::numeric_limits<uint64_t>::max()};
-
 } // namespace openmc
 
 #endif // OPENMC_CONSTANTS_H

include/openmc/version.h.in

@@ -10,7 +10,7 @@ namespace openmc {
 constexpr int VERSION_MAJOR {@OPENMC_VERSION_MAJOR@};
 constexpr int VERSION_MINOR {@OPENMC_VERSION_MINOR@};
 constexpr int VERSION_RELEASE {@OPENMC_VERSION_RELEASE@};
-constexpr bool VERSION_DEV {true};
+constexpr bool VERSION_DEV {false};
 constexpr std::array<int, 3> VERSION {VERSION_MAJOR, VERSION_MINOR, VERSION_RELEASE};
 // clang-format on
 

openmc/__init__.py

@@ -38,4 +38,4 @@
 from openmc.model import rectangular_prism, hexagonal_prism, Model
 
 
-__version__ = '0.14.0-dev'
+__version__ = '0.13.2'

openmc/data/decay.py

@@ -587,7 +587,7 @@ def decay_photon_energy(nuclide: str) -> Optional[Univariate]:
     for the first time, you need to ensure that a depletion chain has been
     specified in openmc.config['chain_file'].
 
-    .. versionadded:: 0.14.0
+    .. versionadded:: 0.13.2
 
     Parameters
     ----------

openmc/deplete/stepresult.py

@@ -202,7 +202,7 @@ def distribute(self, local_materials, ranges):
     def get_material(self, mat_id):
         """Return material object for given depleted composition
 
-        .. versionadded:: 0.14.0
+        .. versionadded:: 0.13.2
 
         Parameters
         ----------

openmc/material.py

@@ -98,7 +98,7 @@ class Material(IDManagerMixin):
         this distribution is the total intensity of the photon source in
         [decay/sec].
 
-        .. versionadded:: 0.14.0
+        .. versionadded:: 0.13.2
 
     """
 
@@ -825,6 +825,8 @@ def get_nuclides(self, element: Optional[str] = None):
         element : str
             Specifies the element to match when searching through the nuclides
 
+            .. versionadded:: 0.13.2
+
         Returns
         -------
         nuclides : list of str
@@ -877,6 +879,8 @@ def get_nuclide_atom_densities(self, nuclide: Optional[str] = None):
             Nuclide for which atom density is desired. If not specified, the
             atom density for each nuclide in the material is given.
 
+            .. versionadded:: 0.13.2
+
         Returns
         -------
         nuclides : dict

openmc/stats/univariate.py

@@ -729,7 +729,7 @@ def muir(e0, m_rat, kt):
     distribution: the mean energy of particles ``e0``, the mass of reactants
     ``m_rat``, and the ion temperature ``kt``.
 
-    .. versionadded:: 0.14.0
+    .. versionadded:: 0.13.2
 
     Parameters
     ----------

openmc/universe.py

@@ -650,19 +650,26 @@ class DAGMCUniverse(UniverseBase):
     bounding_box : 2-tuple of numpy.array
         Lower-left and upper-right coordinates of an axis-aligned bounding box
         of the universe.
+
+        .. versionadded:: 0.13.1
     material_names : list of str
         Return a sorted list of materials names that are contained within the
         DAGMC h5m file. This is useful when naming openmc.Material() objects
         as each material name present in the DAGMC h5m file must have a
         matching openmc.Material() with the same name.
+
+        .. versionadded:: 0.13.2
     n_cells : int
         The number of cells in the DAGMC model. This is the number of cells at
         runtime and accounts for the implicit complement whether or not is it
         present in the DAGMC file.
+
+        .. versionadded:: 0.13.2
     n_surfaces : int
         The number of surfaces in the model.
 
-        .. versionadded:: 0.13.1
+        .. versionadded:: 0.13.2
+
     """
 
     def __init__(self,

src/output.cpp

@@ -1,8 +1,8 @@
 #include "openmc/output.h"
 
 #include <algorithm> // for transform, max
-#include <cstring>   // for strlen
 #include <cstdio>    // for stdout
+#include <cstring>   // for strlen
 #include <ctime>     // for time, localtime
 #include <fstream>
 #include <iomanip> // for setw, setprecision, put_time
@@ -134,9 +134,10 @@ void header(const char* msg, int level)
   auto out = header(msg);
 
   // Print header based on verbosity level.
-  if (settings::verbosity >= level)
+  if (settings::verbosity >= level) {
     fmt::print("\n{}\n\n", out);
     std::fflush(stdout);
+  }
 }
 
 //==============================================================================
@@ -396,7 +397,7 @@ void print_build_info()
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
     fmt::print("Coverage testing:      {}\n", coverage);
-    fmt::print("Profiling flags:         {}\n", profiling);
+    fmt::print("Profiling flags:       {}\n", profiling);
   }
 }
 

src/source.cpp

@@ -224,7 +224,8 @@ SourceSite IndependentSource::sample(uint64_t* seed) const
             auto id = (domain_type_ == DomainType::CELL)
                         ? model::cells[coord.cell]->id_
                         : model::universes[coord.universe]->id_;
-            if (found = contains(domain_ids_, id)) break;
+            if ((found = contains(domain_ids_, id)))
+              break;
           }
         }
       }

src/volume_calc.cpp

@@ -225,12 +225,11 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
     iterations++;
     uint64_t total_samples = iterations * n_samples_;
 
-    // warn user if total sample size is greater than what the size_t type can
+    // warn user if total sample size is greater than what the uin64_t type can
     // represent
-    if (total_samples == UINT64_T_MAX) {
+    if (total_samples == std::numeric_limits<uint64_t>::max()) {
       warning("The number of samples has exceeded the type used to track hits. "
-              "Volume "
-              "results may be inaccurate.");
+              "Volume results may be inaccurate.");
     }
 
     // reset
@@ -246,8 +245,8 @@ vector<VolumeCalculation::Result> VolumeCalculation::execute() const
       // Create 2D array to store atoms/uncertainty for each nuclide. Later this
       // is compressed into vectors storing only those nuclides that are
       // non-zero
-      auto n_nuc = settings::run_CE ? data::nuclides.size()
-                                    : data::mg.nuclides_.size();
+      auto n_nuc =
+        settings::run_CE ? data::nuclides.size() : data::mg.nuclides_.size();
       xt::xtensor<double, 2> atoms({n_nuc, 2}, 0.0);
 
 #ifdef OPENMC_MPI