Merge remote-tracking branch 'origin/main' into rberger_unit_system_m…

…odifier

.gitlab-ci.yml

@@ -10,6 +10,7 @@ variables:
   SINGULARITY_EOS_GCC_VERSION: "9.3.0"
   SINGULARITY_EOS_OPENMPI_VERSION: "4.1.3"
   SINGULARITY_EOS_CUDA_VERSION: "11.6.0"
+  SINGULARITY_EOS_BUILD_TYPE: "RelWithDebInfo"
   SINGULARITY_EOS_SPACK_SPEC: "singularity-eos@main+mpi+hdf5+python+tests%gcc@${SINGULARITY_EOS_GCC_VERSION} ^openmpi@${SINGULARITY_EOS_OPENMPI_VERSION}"
   COLOR_CYAN: '\033[1;36m'
   COLOR_PLAIN: '\033[0m'
@@ -45,10 +46,13 @@ before_script:
 ##########################
 
 .buildtype_debug: &buildtype_debug
-  BUILD_TYPE: "Debug"
+  SINGULARITY_EOS_BUILD_TYPE: "Debug"
 
 .buildtype_release: &buildtype_release
-  BUILD_TYPE: "Release"
+  SINGULARITY_EOS_BUILD_TYPE: "Release"
+
+.buildtype_relDebugInfo: &buildtype_relDebugInfo
+  SINGULARITY_EOS_BUILD_TYPE: "RelWithDebInfo"
 
 .gpu: &gpu
   SINGULARITY_USE_CUDA: "true"
@@ -133,6 +137,7 @@ before_script:
     - cd build
     - |
       cmake -DCMAKE_INSTALL_PREFIX=${CI_PROJECT_DIR}/install ${SINGULARITY_CMAKE_CXX_COMPILER_FLAG} \
+            -DCMAKE_BUILD_TYPE=${SINGULARITY_EOS_BUILD_TYPE} \
             -DSINGULARITY_USE_EOSPAC=ON \
             -DSINGULARITY_USE_SPINER=ON \
             -DSINGULARITY_USE_SPINER_WITH_HDF5=ON \
@@ -190,13 +195,15 @@ test_gnu_power9_gpu:
   extends: .test
   variables:    
     <<: *power9
+    <<: *buildtype_release
     <<: *gpu
 
 test_x86_volta_gpu:
   <<: *job_def
   extends: .test
   variables:    
     <<: *x86volta
+    <<: *buildtype_release
     <<: *gpu
 
 install_gnu_skylake_fort:

CHANGELOG.md

@@ -4,6 +4,7 @@
 - [[PR269]](https://github.com/lanl/singularity-eos/pull/269) Add SAP Polynomial EoS
 
 ### Fixed (Repair bugs, etc)
+- [[PR291]](https://github.com/lanl/singularity-eos/pull/291) package.py updates to reflect new CMake options 
 - [[PR290]](https://github.com/lanl/singularity-eos/pull/290) Added target guards on export config
 - [[PR288]](https://github.com/lanl/singularity-eos/pull/288) Don't build tests that depend on spiner when spiner is disabled
 - [[PR287]](https://github.com/lanl/singularity-eos/pull/287) Fix testing logic with new HDF5 options
@@ -21,6 +22,7 @@
 
 ### Added (new features/APIs/variables/...)
 - [[PR265]](https://github.com/lanl/singularity-eos/pull/265) Add missing UnitSystem modifier combinations to variant and EOSPAC
+- [[PR279]](https://github.com/lanl/singularity-eos/pull/279) added noble-abel EoS
 - [[PR274]](https://github.com/lanl/singularity-eos/pull/274) added a stiffened gas EoS
 - [[PR254]](https://github.com/lanl/singularity-eos/pull/254) added ability to peel off modifiers as needed
 - [[PR250]](https://github.com/lanl/singularity-eos/pull/250) added mass fraction output to stellar collapse eos
@@ -42,6 +44,7 @@
 
 ### Infrastructure (changes irrelevant to downstream codes)
 - [[PR190]](https://github.com/lanl/singularity-eos/pull/190) update CI on re-git
+- [[PR245]](https://github.com/lanl/singularity-eos/pull/245) Separating get_sg_eos to other files. Build/compilation improvements, warning fixes/suppression.
 
 ### Removed (removing behavior/API/varaibles/...)
 

CMakeLists.txt

@@ -11,9 +11,6 @@
 # publicly and display publicly, and to permit others to do so.
 # ------------------------------------------------------------------------------#
 
-# We want to stay near to latest, as more compilers and third-party libraries
-# are supported. However, uptake of new CMake releases can be slow. 20230403:
-# version 3.19 is available on all testing platforms
 cmake_minimum_required(VERSION 3.19)
 
 # Disable "in-source" builds
@@ -51,9 +48,10 @@ option(SINGULARITY_USE_FORTRAN "Enable fortran bindings" ON)
 option(SINGULARITY_USE_KOKKOS "Use Kokkos for portability" OFF)
 option(SINGULARITY_USE_EOSPAC "Enable eospac backend" OFF)
 
+#TODO This should be dependent option (or fortran option)
 option(SINGULARITY_BUILD_CLOSURE "Mixed Cell Closure" ON)
 
-cmake_dependent_option(SINGULARITY_USE_CUDA "Use CUDA backend of Kokkos" ON
+cmake_dependent_option(SINGULARITY_USE_CUDA "Use CUDA backend of Kokkos" OFF
                        "SINGULARITY_USE_KOKKOS" OFF)
 cmake_dependent_option(
   SINGULARITY_USE_KOKKOSKERNELS "Use KokkosKernels for LA routines" ON

cmake/submodule_configs.cmake

@@ -23,7 +23,6 @@ macro(singularity_cmake_config pkg)
     if(SINGULARITY_USE_CUDA)
       set(Kokkos_ENABLE_CUDA ON CACHE BOOL "" FORCE)
       set(Kokkos_ENABLE_CUDA_LAMBDA ON CACHE BOOL "" FORCE)
-      set(Kokkos_ENABLE_CUDA_RELOCATABLE_DEVICE_CODE ON CACHE BOOL "" FORCE)
     endif()
   elseif(${pkg} STREQUAL "KokkosKernels")
     # Disable TPLs

doc/sphinx/src/building.rst

@@ -1,5 +1,5 @@
-Overview
-========
+Building `singularity-eos`
+==========================
 
 The ``singularity-eos`` build system is designed with two goals in mind
 
@@ -53,15 +53,15 @@ Dependencies
 ====================================== =============================== ===========================================
   Package Name                          Distribution                    Comment 
 ====================================== =============================== ===========================================
- `spiner`_                              submodule [*]_ / external [*]_   Required
  `ports-of-call`_                       submodule / external             Required
  `mpark_variant`_                       submodule / external             Required
+ `spiner`_                              submodule [*]_ / external [*]_   Optional; enhanced backend for EOS tables
  `hdf5`_                                external only                    Optional; used for table I/O
  `eospac`_                              external only                    Optional; used for sesame tables.
  `kokkos`_                              submodule / external             Optional; enables GPU offloading.
  `Eigen`_                               submodule / external             Optional; used for linear algebra on the CPU when doing mixed-cell closures.
  `kokkos-kernels`_                      submodule / external             Optional; used for linear algebra on the GPU when doing mixed-cell closures.
- `pybind11`_                            external / fetchable [*]_        Optional; 
+ `pybind11`_                            external / fetchable [*]_        Optional 
 ====================================== =============================== ===========================================
 
 .. [*] availible as a git submodule for in-tree builds
@@ -105,6 +105,7 @@ The main CMake options to configure building are in the following table:
  ``SINGULARITY_USE_FORTRAN``             ON       Enable Fortran API for equation of state.
  ``SINGULARITY_USE_KOKKOS``              OFF      Uses Kokkos as the portability backend. Currently only Kokkos is supported for GPUs.
  ``SINGULARITY_USE_EOSPAC``              OFF      Link against EOSPAC. Needed for sesame2spiner and some tests.
+ ``SINGULARITY_BUILD_CLOSURE``           OFF      Build the mixed cell closure models
  ``SINGULARITY_BUILD_TESTS``             OFF      Build test infrastructure.
  ``SINGULARITY_BUILD_PYTHON``            OFF      Build Python bindings.
  ``SINGULARITY_INVERT_AT_SETUP``         OFF      For tests, pre-invert eospac tables.
@@ -146,8 +147,7 @@ preconditions:
 ============================================== ================================================================================= ===========================================
  ``SINGULARITY_USE_SPINER_WITH_HDF5``           ``SINGULARITY_USE_SPINER=ON``                                                     Requests that ``spiner`` be configured for ``HDF5`` support.
  ``SINGULARITY_USE_CUDA``                       ``SINGULARITY_USE_KOKKOS=ON``                                                     Target nvidia GPUs for ``Kokkos`` offloading.
- ``SINGULARITY_USE_KOKKOSKERNELS``              ``SINGULARITY_USE_KOKKOS=ON``                                                     Use Kokkos Kernels for linear algebra. Needed for mixed cell closure models on GPU.
- ``SINGULARITY_BUILD_CLOSURE``                  ``SINGULARITY_USE_KOKKOS=ON`` ``SINGULARITY_USE_KOKKOSKERNELS=ON``                Mixed cell closure.
+ ``SINGULARITY_USE_KOKKOSKERNELS``              ``SINGULARITY_USE_KOKKOS=ON`` ``SINGULARITY_BUILD_CLOSURE=ON``                       Use Kokkos Kernels for linear algebra. Needed for mixed cell closure models on GPU.
  ``SINGULARITY_BUILD_SESAME2SPINER``            ``SINGULARITY_USE_SPINER=ON`` ``SINGULARITY_USE_SPINER_WITH_HDF5=ON``             Builds the conversion tool sesame2spiner which makes files readable by SpinerEOS.
  ``SINGULARITY_BUILD_STELLARCOLLAPSE2SPINER``   ``SINGULARITY_USE_SPINER=ON`` ``SINGULARITY_USE_SPINER_WITH_HDF5=ON``             Builds the conversion tool stellarcollapse2spiner which optionally makes stellar collapse files faster to read.
  ``SINGULARITY_TEST_SESAME``                    ``SINGULARITY_BUILD_TESTS=ON`` ``SINGULARITY_BUILD_SESAME2SPINER=ON``             Test the Sesame table readers.

doc/sphinx/src/models.rst

@@ -15,6 +15,8 @@
 
 .. _WillsThermo: https://www.osti.gov/biblio/1561015
 
+.. _NobleAbel: https://doi.org/10.1063/5.0079187
+
 .. _StiffGas: https://doi.org/10.1016/j.ijthermalsci.2003.09.002
 
 
@@ -482,6 +484,64 @@ these values are not set, they will be the same as those returned by the
 conditions are given, the return values of the :code:`ValuesAtReferenceState()`
 function will not be the same.
 
+Noble-Abel
+``````````
+
+The implementation here was influenced by the reference `NobleAbel`_. The Noble-Abel (aka Clausius I or Hirn) model in ``singularity-eos`` takes
+the form
+
+.. math::
+
+    P = \frac{ \rho (e-q) (\gamma-1) }{ 1 - b \rho }
+
+.. math::
+
+    e = C_V T + q,
+
+where quantities are similar to the ideal gas law with the exception of covolume (:math:`b`) and offset internal energy (:math:`q`).
+It should be noted that covolume is physically significant as it represents the maximum compressibility of the gas, and as a result it should be non-negative.
+
+The entropy for the Noble-Abel EoS is given by
+
+.. math::
+
+    S = C_V \ln\left(\frac{T}{T_0}\right) + C_V (\gamma-1) \ln\left(\frac{v - b}
+     {v_0 - b}\right) + q',
+     
+
+where :math:`S(\rho_0,T_0)=q'`. By default, :math:`T_0 = 298` K and the
+reference density is given by
+
+.. math::
+
+    \rho_0 = \frac{P_0}{C_V T_0(\gamma-1) + bP_0},
+
+where :math:`P_0` is by default 1 bar.
+
+The settable parameters for this EOS are :math:`\gamma-1`, specific
+heat capacity (:math:`C_V`), covolume (:math:`b`) and offset internal energy (:math:`q`). Optionally, the reference state for the entropy calculation can
+be provided by setting the reference temperature, pressure, and entropy offset.
+
+The ``NobleAbel`` EOS constructor has four arguments: ``gm1``, which is :math:`\gamma-1`; ``Cv``, the
+specific heat :math:`C_V`; :math:`b`, the covolume; and :math:`q`, the internal energy offset.
+
+.. code-block:: cpp
+
+    NobleAbel(Real gm1, Real Cv, Real b, Real q)
+
+Optionally, the reference state for the entropy calculation,
+can be provided in the constructor via ``qp``, ``T0`` and ``P0``:
+
+.. code-block:: cpp
+
+    NobleAbel(Real gm1, Real Cv, Real b, Real q, Real qp, Real T0, Real P0)
+
+Note that these parameters are provided solely for the entropy calculation. When
+these values are not set, they will be the same as those returned by the
+:code:`ValuesAtReferenceState()` function. However, if the entropy reference
+conditions are given, the return values of the :code:`ValuesAtReferenceState()`
+function will not be the same.
+
 Gruneisen EOS
 `````````````
 

singularity-eos/CMakeLists.txt

@@ -13,7 +13,6 @@
 #------------------------------------------------------------------------------#
 
 set(EOS_HEADERS
-    closure/mixed_cell_models.hpp
     base/fast-math/logs.hpp
     base/robust_utils.hpp
     base/root-finding-1d/root_finding.hpp
@@ -40,19 +39,37 @@ set(EOS_HEADERS
     eos/modifiers/eos_unitsystem.hpp
     eos/eos_base.hpp
     eos/eos_eospac.hpp
+    eos/eos_noble_abel.hpp
+    eos/eos_stiff.hpp
 )
 
 set(EOS_SRCS
     eos/eos_builder.cpp
 )
 
 if (SINGULARITY_BUILD_CLOSURE)
-  list(APPEND EOS_SRCS eos/singularity_eos.cpp)
-  list(APPEND EOS_HEADERS eos/singularity_eos.hpp closure/mixed_cell_models.hpp)
+  list(APPEND EOS_HEADERS
+       closure/mixed_cell_models.hpp)
+  if (SINGULARITY_USE_FORTRAN)
+    list(APPEND EOS_SRCS 
+         eos/get_sg_eos.cpp)
+    if (SINGULARITY_USE_KOKKOS)
+      list(APPEND EOS_SRCS 
+           eos/get_sg_eos_p_t.cpp
+           eos/get_sg_eos_rho_t.cpp
+           eos/get_sg_eos_rho_p.cpp
+           eos/get_sg_eos_rho_e.cpp)
+    endif()
+    list(APPEND EOS_HEADERS
+         eos/get_sg_eos.hpp
+         eos/get_sg_eos_functors.hpp)
+  endif()
 endif()
 
 if (SINGULARITY_USE_FORTRAN)
   list(APPEND EOS_SRCS eos/singularity_eos.f90)
+  list(APPEND EOS_SRCS eos/singularity_eos.cpp)
+  list(APPEND EOS_HEADERS eos/singularity_eos.hpp)
   # would rather handle this more robustly, being sloppy for now
   list(APPEND EOS_MODS singularity_eos.mod singularity_eos_types.mod)
 endif()

singularity-eos/base/variadic_utils.hpp

@@ -68,10 +68,6 @@ struct flatten<type_list<Ts...>> {
 };
 
 // filter nested variadic templates
-template <template <typename> class FIRST, template <typename> class... REST>
-constexpr auto remove_first(adapt_list<FIRST, REST...>) {
-  return adapt_list<REST...>{};
-}
 
 // nested specialization filter type
 template <template <typename> class Template, typename T>
@@ -109,18 +105,13 @@ struct filter<ADAPTER, Pred, Variadic, T, Ts...> {
       typename filter<ADAPTER, Pred, Variadic, Ts...>::type>::type;
 };
 
-template <template <typename> class U, typename... Ts>
-constexpr auto filter_nested(type_list<Ts...>) {
-  using f_list = typename filter<U, is_not_duplicate_nested, type_list, Ts...>::type;
-  return f_list{};
-}
-
 template <template <typename> class FIRST, template <typename> class... Us,
           typename... Ts>
 constexpr auto filter_nested_variadic(adapt_list<FIRST, Us...> m, type_list<Ts...> l) {
-  using t1 = type_list<decltype(filter_nested<FIRST>(l))>;
+  using t1 =
+      type_list<typename filter<FIRST, is_not_duplicate_nested, type_list, Ts...>::type>;
   constexpr typename flatten<t1>::type l1{};
-  return filter_nested_variadic(remove_first(m), l1);
+  return filter_nested_variadic(adapt_list<Us...>{}, l1);
 }
 
 template <typename... Ts>
@@ -130,14 +121,14 @@ constexpr auto filter_nested_variadic(adapt_list<>, type_list<Ts...> l) {
 
 // apply class template to typelist
 template <template <typename> class T, typename... Us>
-constexpr auto transform_list(type_list<Us...>) {
-  return type_list<T<Us>...>{};
-}
+struct transform_list_struct {
+  using type = type_list<T<Us>...>;
+};
 
 template <template <typename> class... Ts, typename... Us>
 constexpr auto transform_variadic_list(type_list<Us...> list,
                                        adapt_list<Ts...> mod_list) {
-  using t1 = type_list<decltype(transform_list<Ts>(list))...>;
+  using t1 = type_list<typename transform_list_struct<Ts, Us...>::type...>;
   constexpr typename flatten<t1>::type l1{};
   constexpr auto l2 = filter_nested_variadic(mod_list, l1);
   return l2;

singularity-eos/eos/eos.hpp

@@ -38,6 +38,7 @@
 #include <singularity-eos/eos/eos_gruneisen.hpp>
 #include <singularity-eos/eos/eos_ideal.hpp>
 #include <singularity-eos/eos/eos_jwl.hpp>
+#include <singularity-eos/eos/eos_noble_abel.hpp>
 #include <singularity-eos/eos/eos_sap_polynomial.hpp>
 #include <singularity-eos/eos/eos_spiner.hpp>
 #include <singularity-eos/eos/eos_stellar_collapse.hpp>
@@ -66,7 +67,7 @@ using singularity::detail::transform_variadic_list;
 // all eos's
 static constexpr const auto full_eos_list =
     tl<IdealGas, Gruneisen, Vinet, JWL, DavisReactants, DavisProducts, StiffGas,
-       SAP_Polynomial
+       SAP_Polynomial, NobleAbel
 #ifdef SINGULARITY_USE_SPINER_WITH_HDF5
        ,
        SpinerEOSDependsRhoT, SpinerEOSDependsRhoSie, StellarCollapse
@@ -135,7 +136,7 @@ static constexpr const auto ramped_all =
     transform_variadic_list(combined_list_1, al<BilinearRampEOS>{});
 // final combined list
 static constexpr const auto combined_list =
-    singularity::detail::concat(full_eos_list, shifted, scaled, unit_or_rel, ramped_all);
+    singularity::detail::concat(combined_list_1, ramped_all);
 // a function that returns a Variant from a typelist
 template <typename... Ts>
 struct tl_to_Variant_struct {

singularity-eos/eos/eos_base.hpp

@@ -80,7 +80,10 @@ char *StrCat(char *destination, const char *source) {
   using EosBase<EOSDERIVED>::FillEos;                                                    \
   using EosBase<EOSDERIVED>::EntropyFromDensityTemperature;                              \
   using EosBase<EOSDERIVED>::EntropyFromDensityInternalEnergy;                           \
-  using EosBase<EOSDERIVED>::EntropyIsNotEnabled;
+  using EosBase<EOSDERIVED>::EntropyIsNotEnabled;                                        \
+  using EosBase<EOSDERIVED>::IsModified;                                                 \
+  using EosBase<EOSDERIVED>::UnmodifyOnce;                                               \
+  using EosBase<EOSDERIVED>::GetUnmodifiedObject;
 
 class Factor {
   Real value_ = 1.0;
@@ -606,12 +609,13 @@ class EosBase {
   }
 
   // Tooling for modifiers
-  PORTABLE_FORCEINLINE_FUNCTION
-  bool IsModified() const { return false; }
-  PORTABLE_FORCEINLINE_FUNCTION
-  auto UnmodifyOnce() { return *static_cast<CRTP *>(this); }
-  PORTABLE_FORCEINLINE_FUNCTION
-  auto GetUnmodifiedObject() { return *static_cast<CRTP *>(this); }
+  inline constexpr bool IsModified() const { return false; }
+
+  inline constexpr decltype(auto) UnmodifyOnce() { return *static_cast<CRTP *>(this); }
+
+  inline constexpr decltype(auto) GetUnmodifiedObject() {
+    return *static_cast<CRTP *>(this);
+  }
 };
 } // namespace eos_base
 } // namespace singularity