Merge branch 'main' into jmm/document-versioning

lanl · Nov 30, 2023 · 4ead7a5 · 4ead7a5
2 parents 576695c + 6fe168d
commit 4ead7a5
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Showing 20 changed files with 63 additions and 42 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -352,9 +352,8 @@ if(SINGULARITY_BUILD_TESTS)
     FetchContent_Declare(
       Catch2
       GIT_REPOSITORY https://github.com/catchorg/Catch2.git
-      # MAUNEYC: On my side, this version works. The ones pinned onto upstream
-      # codes do not like to play with clang and/or newer compilers.
-      GIT_TAG v2.13.7)
+      # or later is fine too
+      GIT_TAG v3.0.1)
     FetchContent_MakeAvailable(Catch2)
     list(APPEND CMAKE_MODULE_PATH ${Catch2_SOURCE_DIR}/contrib)
   endif()

diff --git a/singularity-eos/base/robust_utils.hpp b/singularity-eos/base/robust_utils.hpp
@@ -15,6 +15,7 @@
 #ifndef SINGULARITY_EOS_BASE_ROBUST_UTILS_HPP_
 #define SINGULARITY_EOS_BASE_ROBUST_UTILS_HPP_
 
+#include <cmath>
 #include <limits>
 #include <ports-of-call/portability.hpp>
 
@@ -31,6 +32,16 @@ PORTABLE_FORCEINLINE_FUNCTION constexpr auto EPS() {
   return 10 * std::numeric_limits<T>::epsilon();
 }
 
+template <typename T = Real>
+PORTABLE_FORCEINLINE_FUNCTION constexpr T min_exp_arg() {
+  return (std::numeric_limits<T>::min_exponent - 1) * M_LN2;
+}
+
+template <typename T = Real>
+PORTABLE_FORCEINLINE_FUNCTION constexpr T max_exp_arg() {
+  return std::numeric_limits<T>::max_exponent * M_LN2;
+}
+
 template <typename T>
 PORTABLE_FORCEINLINE_FUNCTION auto make_positive(const T val) {
   return std::max(val, EPS<T>());
@@ -51,6 +62,13 @@ PORTABLE_FORCEINLINE_FUNCTION auto ratio(const A &a, const B &b) {
   return a / (b + sgn(b) * SMALL<B>());
 }
 
+template <typename T>
+PORTABLE_FORCEINLINE_FUNCTION T safe_arg_exp(const T &x) {
+  return x < min_exp_arg<T>()   ? 0.0
+         : x > max_exp_arg<T>() ? std::numeric_limits<T>::infinity()
+                                : std::exp(x);
+}
+
 } // namespace robust
 } // namespace singularity
 

diff --git a/singularity-eos/eos/eos_jwl.hpp b/singularity-eos/eos/eos_jwl.hpp
@@ -16,6 +16,7 @@
 #define _SINGULARITY_EOS_EOS_EOS_JWL_HPP_
 
 // stdlib
+#include <cassert>
 #include <cmath>
 #include <cstdio>
 #include <string>
@@ -40,7 +41,14 @@ class JWL : public EosBase<JWL> {
   JWL() = default;
   PORTABLE_INLINE_FUNCTION JWL(const Real A, const Real B, const Real R1, const Real R2,
                                const Real w, const Real rho0, const Real Cv)
-      : _A(A), _B(B), _R1(R1), _R2(R2), _w(w), _rho0(rho0), _Cv(Cv) {}
+      : _A(A), _B(B), _R1(R1), _R2(R2), _w(w), _rho0(rho0), _Cv(Cv),
+        _c1(robust::ratio(A, rho0 * R1)), _c2(robust::ratio(B, rho0 * R2)) {
+    assert(R1 > 0.0);
+    assert(R2 > 0.0);
+    assert(w > 0.0);
+    assert(rho0 > 0.0);
+    assert(Cv > 0.0);
+  }
   JWL GetOnDevice() { return *this; }
   PORTABLE_INLINE_FUNCTION Real TemperatureFromDensityInternalEnergy(
       const Real rho, const Real sie, Real *lambda = nullptr) const;
@@ -98,22 +106,21 @@ class JWL : public EosBase<JWL> {
   static std::string EosPyType() { return EosType(); }
 
  private:
-  Real _A, _B, _R1, _R2, _w, _rho0, _Cv;
+  Real _A, _B, _R1, _R2, _w, _rho0, _Cv, _c1, _c2;
   PORTABLE_INLINE_FUNCTION Real ReferenceEnergy(const Real rho) const;
   PORTABLE_INLINE_FUNCTION Real ReferencePressure(const Real rho) const;
   // static constexpr const char _eos_type[] = "JWL";
   static constexpr const unsigned long _preferred_input =
       thermalqs::density | thermalqs::specific_internal_energy;
 };
 
-PORTABLE_INLINE_FUNCTION Real JWL::ReferencePressure(const Real rho) const {
-  const Real x = _rho0 / rho;
-  return _A * std::exp(-_R1 * x) + _B * std::exp(-_R2 * x);
+PORTABLE_FORCEINLINE_FUNCTION Real JWL::ReferencePressure(const Real rho) const {
+  const Real x = robust::ratio(_rho0, rho);
+  return _A * robust::safe_arg_exp(-_R1 * x) + _B * robust::safe_arg_exp(-_R2 * x);
 }
-PORTABLE_INLINE_FUNCTION Real JWL::ReferenceEnergy(const Real rho) const {
-  const Real x = _rho0 / rho;
-  return _A / (_rho0 * _R1) * std::exp(-_R1 * x) +
-         _B / (_rho0 * _R2) * std::exp(-_R2 * x);
+PORTABLE_FORCEINLINE_FUNCTION Real JWL::ReferenceEnergy(const Real rho) const {
+  const Real x = robust::ratio(_rho0, rho);
+  return _c1 * robust::safe_arg_exp(-_R1 * x) + _c2 * robust::safe_arg_exp(-_R2 * x);
 }
 PORTABLE_INLINE_FUNCTION Real JWL::InternalEnergyFromDensityTemperature(
     const Real rho, const Real temp, Real *lambda) const {
@@ -137,19 +144,20 @@ PORTABLE_INLINE_FUNCTION Real JWL::EntropyFromDensityInternalEnergy(const Real r
 }
 PORTABLE_INLINE_FUNCTION Real JWL::TemperatureFromDensityInternalEnergy(
     const Real rho, const Real sie, Real *lambda) const {
-  return (sie - ReferenceEnergy(rho)) / _Cv;
+  return robust::ratio((sie - ReferenceEnergy(rho)), _Cv);
 }
 PORTABLE_INLINE_FUNCTION Real JWL::SpecificHeatFromDensityInternalEnergy(
     const Real rho, const Real sie, Real *lambda) const {
   return _Cv;
 }
 PORTABLE_INLINE_FUNCTION Real JWL::BulkModulusFromDensityInternalEnergy(
     const Real rho, const Real sie, Real *lambda) const {
-  const Real x = _rho0 / rho;
+  const Real x = robust::ratio(_rho0, rho);
   // return
   // (_w+1)*(PressureFromDensityInternalEnergy(rho,sie)-ReferencePressure(rho))+x*(_A*_R1*std::exp(-_R1*x)+_B*_R2*std::exp(-_R2*x));
   return (_w + 1) * _w * rho * (sie - ReferenceEnergy(rho)) +
-         x * (_A * _R1 * std::exp(-_R1 * x) + _B * _R2 * std::exp(-_R2 * x));
+         x * (_A * _R1 * robust::safe_arg_exp(-_R1 * x) +
+              _B * _R2 * robust::safe_arg_exp(-_R2 * x));
 }
 PORTABLE_INLINE_FUNCTION
 Real JWL::GruneisenParamFromDensityInternalEnergy(const Real rho, const Real sie,
@@ -232,7 +240,7 @@ void JWL::ValuesAtReferenceState(Real &rho, Real &temp, Real &sie, Real &press,
   dpde = _w * _rho0;
   // TODO: chad please fix this one for me. This is wrong.
   Real gm1 = GruneisenParamFromDensityInternalEnergy(rho, sie, lambda) * rho;
-  dvdt = gm1 * cv / bmod;
+  dvdt = robust::ratio(gm1 * cv, bmod);
 }
 
 } // namespace singularity

diff --git a/spack-repo/packages/singularity-eos/package.py b/spack-repo/packages/singularity-eos/package.py
@@ -65,7 +65,8 @@ class SingularityEos(CMakePackage, CudaPackage):
 
     # building/testing/docs
     depends_on("[email protected]:")
-    depends_on("[email protected]", when="+tests")
+    depends_on("[email protected]:", when="@main +tests")
+    depends_on("[email protected]", when="@:1.8.0 +tests")
     depends_on("python@3:", when="+python")
     depends_on("py-numpy", when="+python+tests")
     depends_on("[email protected]:", when="+python")

diff --git a/spack-repo/packages/spiner/package.py b/spack-repo/packages/spiner/package.py
@@ -51,9 +51,12 @@ class Spiner(CMakePackage, CudaPackage):
 
     variant("python", default=False, description="Python, Numpy & Matplotlib Support")
 
+    variant("test", default=False, description="Build tests")
+
     depends_on("[email protected]:", when="@:1.5.1")
     depends_on("[email protected]:", when="@1.6.0:")
-    depends_on("[email protected]:2.13.9")
+    depends_on("[email protected]:", when="@main +test")
+    depends_on("[email protected]:2.13.9", when="@:1.6.2 +test")
     depends_on("[email protected]:", when="@:1.5.1")
     depends_on("[email protected]:", when="@1.6.0:")
     depends_on("ports-of-call@main", when="@main")

diff --git a/test/catch2_define.cpp b/test/catch2_define.cpp
@@ -12,14 +12,9 @@
 // publicly and display publicly, and to permit others to do so.
 //------------------------------------------------------------------------------
 
+#include <catch2/catch_session.hpp>
 #include <ports-of-call/portability.hpp>
 
-#ifndef CATCH_CONFIG_RUNNER
-#define CATCH_CONFIG_RUNNER
-#define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
-#endif
-
 int main(int argc, char *argv[]) {
 
 #ifdef PORTABILITY_STRATEGY_KOKKOS

diff --git a/test/eos_unit_test_helpers.hpp b/test/eos_unit_test_helpers.hpp
@@ -17,7 +17,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 #include <cmath>
 #include <cstdio>

diff --git a/test/test_eos_gruneisen.cpp b/test/test_eos_gruneisen.cpp
@@ -19,7 +19,7 @@
 #include <limits>
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <singularity-eos/base/constants.hpp>
@@ -56,9 +56,7 @@ SCENARIO("Gruneisen EOS entropy is disabled", "[GruneisenEOS][Entropy]") {
     EOS host_eos = Gruneisen(C0, S1, S2, S3, Gamma0, b, rho0, T0, P0, Cv);
     EOS eos = host_eos.GetOnDevice();
     THEN("A call to the entropy should throw an exception") {
-      using Catch::Matchers::Contains;
-      auto msg_matcher = Contains("Entropy is not enabled");
-      REQUIRE_THROWS_WITH(eos.EntropyFromDensityTemperature(1.0, 1.0), msg_matcher);
+      REQUIRE_THROWS(eos.EntropyFromDensityTemperature(1.0, 1.0));
     }
   }
 }

diff --git a/test/test_eos_helmholtz.cpp b/test/test_eos_helmholtz.cpp
@@ -24,7 +24,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <ports-of-call/portability.hpp>
@@ -34,7 +34,6 @@
 #include <singularity-eos/eos/eos.hpp>
 #include <test/eos_unit_test_helpers.hpp>
 
-using Catch::Matchers::WithinRel;
 using singularity::Helmholtz;
 const std::string filename = "../data/helmholtz/helm_table.dat";
 SCENARIO("Helmholtz equation of state - Table interpolation (tgiven)", "[HelmholtzEOS]") {

diff --git a/test/test_eos_ideal.cpp b/test/test_eos_ideal.cpp
@@ -28,7 +28,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <test/eos_unit_test_helpers.hpp>

diff --git a/test/test_eos_modifiers.cpp b/test/test_eos_modifiers.cpp
@@ -22,7 +22,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <test/eos_unit_test_helpers.hpp>

diff --git a/test/test_eos_noble_abel.cpp b/test/test_eos_noble_abel.cpp
@@ -19,7 +19,7 @@
 #include <limits>
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <singularity-eos/base/constants.hpp>

diff --git a/test/test_eos_sap_polynomial.cpp b/test/test_eos_sap_polynomial.cpp
@@ -19,7 +19,7 @@
 #include <limits>
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <singularity-eos/base/constants.hpp>

diff --git a/test/test_eos_stellar_collapse.cpp b/test/test_eos_stellar_collapse.cpp
@@ -30,7 +30,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <test/eos_unit_test_helpers.hpp>

diff --git a/test/test_eos_stiff.cpp b/test/test_eos_stiff.cpp
@@ -18,7 +18,7 @@
 #include <cstdlib>
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <singularity-eos/base/constants.hpp>

diff --git a/test/test_eos_tabulated.cpp b/test/test_eos_tabulated.cpp
@@ -29,7 +29,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <test/eos_unit_test_helpers.hpp>

diff --git a/test/test_eos_vector.cpp b/test/test_eos_vector.cpp
@@ -21,7 +21,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <test/eos_unit_test_helpers.hpp>

diff --git a/test/test_eos_vinet.cpp b/test/test_eos_vinet.cpp
@@ -18,7 +18,7 @@
 #include <cstdlib>
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <ports-of-call/portability.hpp>

diff --git a/test/test_math_utils.cpp b/test/test_math_utils.cpp
@@ -23,7 +23,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 #include <test/eos_unit_test_helpers.hpp>

diff --git a/test/test_variadic_utils.cpp b/test/test_variadic_utils.cpp
@@ -19,7 +19,7 @@
 
 #ifndef CATCH_CONFIG_FAST_COMPILE
 #define CATCH_CONFIG_FAST_COMPILE
-#include "catch2/catch.hpp"
+#include <catch2/catch_test_macros.hpp>
 #endif
 
 using singularity::Gruneisen;