Merge pull request #308 from lanl/dholladay00/fpp

Enable fortran preprocessor for fortran interface and then add same l…

CHANGELOG.md

@@ -21,6 +21,7 @@
 - [[PR228]](https://github.com/lanl/singularity-eos/pull/228) added untracked header files in cmake
 - [[PR215]](https://github.com/lanl/singularity-eos/pull/215) and [[PR216]](https://github.com/lanl/singularity-eos/pull/216) fix duplicate definition of EPS and fix CI
 - [[PR232]](https://github.com/lanl/singularity-eos/pull/228) Fixed uninitialized cmake path variables
+- [[PR308]](https://github.com/lanl/singularity-eos/pull/308) spack builds +fortran now compile via correct blocking out of interfaces via preprocessor ifdef
 
 ### Added (new features/APIs/variables/...)
 - [[PR306]](https://github.com/lanl/singularity-eos/pull/306) Added generic Evaluate method
@@ -48,10 +49,12 @@
 - [[PR234]](https://github.com/lanl/singularity-eos/pull/234) update ports-of-call to correct for undefined behavior in error handling
 - [[PR219]](https://github.com/lanl/singularity-eos/pull/219) Removed static analysis from re-git pipeline
 - [[PR233]](https://github.com/lanl/singularity-eos/pull/233) Exposed entropy for the EOS type (now required for future EOS)
+- [[PR308]](https://github.com/lanl/singularity-eos/pull/308) Fortran initialization interface functions no longer require modifier arrays, they are optional parameters.
 
 ### 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.
+- [[PR308]](https://github.com/lanl/singularity-eos/pull/308) Added a fortran test.
 
 ### Removed (removing behavior/API/varaibles/...)
 - [[PR293]](https://github.com/lanl/singularity-eos/pull/293) Removing PTofRE function. This will no longer be callable downstream.

CMakeLists.txt

@@ -393,6 +393,7 @@ if(SINGULARITY_USE_FORTRAN)
   target_include_directories(
     singularity-eos INTERFACE $<BUILD_INTERFACE:${CMAKE_CURRENT_BINARY_DIR}>
                               $<INSTALL_INTERFACE:include/singularity-eos/eos>)
+  set_target_properties(singularity-eos PROPERTIES Fortran_PREPROCESS ON)
 endif() # SINGULARITY_USE_FORTRAN
 
 target_include_directories(

singularity-eos/eos/modifiers/ramps_eos.hpp

@@ -75,6 +75,9 @@ void pAlpha2BilinearRampParams(const T &eos, const Real alpha0, const Real Pe,
 template <typename T>
 class BilinearRampEOS : public EosBase<BilinearRampEOS<T>> {
  public:
+  // Vector functions that overload the scalar versions declared here.
+  SG_ADD_BASE_CLASS_USINGS(BilinearRampEOS<T>)
+
   // move semantics ensures dynamic memory comes along for the ride
   BilinearRampEOS(T &&t, const Real r0, const Real a, const Real b, const Real c)
       : t_(std::forward<T>(t)), r0_(r0), a_(a), b_(b), c_(c),
@@ -425,9 +428,6 @@ class BilinearRampEOS : public EosBase<BilinearRampEOS<T>> {
     t_.ValuesAtReferenceState(rho, temp, sie, press, cv, bmod, dpde, dvdt, lambda);
   }
 
-  // Vector functions that overload the scalar versions declared here.
-  SG_ADD_BASE_CLASS_USINGS(BilinearRampEOS<T>)
-
   inline constexpr bool IsModified() const { return true; }
 
   inline constexpr T UnmodifyOnce() { return t_; }

test/CMakeLists.txt

@@ -131,6 +131,13 @@ if(SINGULARITY_USE_SPINER)
   target_link_libraries(profile_eos singularity-eos::singularity-eos)
 endif()
 
+if(SINGULARITY_USE_FORTRAN)
+  add_executable(ftn_interface test_f_iface.f90)
+  target_link_libraries(ftn_interface singularity-eos::singularity-eos)
+  set_target_properties(ftn_interface PROPERTIES LINKER_LANGUAGE Fortran)
+  add_test(test_fortran_interface ftn_interface)
+endif()
+
 if(SINGULARITY_USE_EOSPAC
    AND SINGULARITY_TEST_SESAME
    AND NOT SINGULARITY_USE_CUDA)

test/eos_unit_test_helpers.hpp

@@ -23,6 +23,10 @@
 #include <cstdio>
 #include <cstdlib>
 
+#include <iomanip>
+#include <limits>
+#include <sstream>
+
 // typename demangler
 #ifdef __GNUG__
 #include <cstdlib>
@@ -64,9 +68,15 @@ PORTABLE_INLINE_FUNCTION Real myAtan(Real x, Real shift, Real scale, Real offset
 template <typename X, typename Y, typename Z, typename ZT, typename XN, typename YN>
 inline void array_compare(int num, X &&x, Y &&y, Z &&z, ZT &&ztrue, XN xname, YN yname,
                           Real tol = 1e-12) {
+  assert(num > 0);
+  using underlying_t =
+      typename std::remove_cv<typename std::remove_reference<decltype(x[0])>::type>::type;
   for (int i = 0; i < num; i++) {
-    INFO("i: " << i << ", " << xname << ": " << x[i] << ", " << yname << ": " << y[i]
-               << ", Value: " << z[i] << ", True Value: " << ztrue[i]);
+    auto s = std::ostringstream{};
+    s << std::setprecision(std::numeric_limits<underlying_t>::max_digits10)
+      << std::scientific << "i: " << i << ", " << xname << ": " << x[i] << ", " << yname
+      << ": " << y[i] << ", Value: " << z[i] << ", True Value: " << ztrue[i];
+    INFO(s.str());
     CHECK(isClose(z[i], ztrue[i], 1e-12));
   }
 }

test/test_eos_gruneisen.cpp

@@ -479,7 +479,7 @@ SCENARIO("Gruneisen EOS density limit") {
             INFO("FillEos bmod: " << bmod << ", Lookup bmod: " << bmod_true);
             CHECK(bmod == bmod_true);
             INFO("FillEos pressure: " << P << ", Lookup pressure: " << pres_true);
-            CHECK(P == pres_true);
+            CHECK(isClose(P, pres_true, 1.e-14));
           }
         }
       }

test/test_eos_stellar_collapse.cpp

@@ -44,7 +44,7 @@ SCENARIO("Test 3D reinterpolation to fast log grid", "[StellarCollapse]") {
     constexpr int N2 = 100;
     constexpr int N1 = 101;
     constexpr int N0 = 102;
-    StellarCollapse::Grid_t g2(0, 1, N2);
+    StellarCollapse::Grid_t g2(1.0 / N2, 1, N2);
     StellarCollapse::Grid_t g1(1, 3, N1);
     StellarCollapse::Grid_t g0(2, 4, N0);
     StellarCollapse::DataBox db(N2, N1, N0);

test/test_eos_stiff.cpp

@@ -79,14 +79,14 @@ SCENARIO("StiffGas1", "[StiffGas][StiffGas1]") {
 
       // Gold standard values for a subset of lookups
       constexpr std::array<Real, num> pressure_true{
-          1.0132500000019073e+06, 3.4450500000000000e+07, 6.7887750000001907e+07,
-          1.0132500000000000e+08};
+          1.01324999999964016e+06, 3.44504999999983162e+07, 6.78877500000010729e+07,
+          1.01324999999999583e+08};
       constexpr std::array<Real, num> bulkmodulus_true{
-          2.3502381137500000e+10, 2.3580958675000000e+10, 2.3659536212500004e+10,
-          2.3738113750000004e+10};
+          2.35023811375000000e+10, 2.35809586749999962e+10, 2.36595362125000038e+10,
+          2.37381137500000000e+10};
       constexpr std::array<Real, num> temperature_true{
-          2.9814999999999998e+02, 1.5320999999999999e+03, 2.7660500000000002e+03,
-          4.0000000000000000e+03};
+          2.98149999999999920e+02, 1.53209999999999968e+03, 2.76605000000000064e+03,
+          3.99999999999999955e+03};
       constexpr std::array<Real, num> gruneisen_true{1.35, 1.35, 1.35, 1.35};
 
 #ifdef PORTABILITY_STRATEGY_KOKKOS

test/test_f_iface.f90

@@ -12,81 +12,30 @@
 ! publicly and display publicly, and to permit others to do so.
 !------------------------------------------------------------------------------
 
-program test
-use bedroom_door_eos
-integer                                   :: res, nmat, ncell, i, j, matid
-type(bd_eos_ary_t)                        :: eos
-integer,      allocatable, dimension(:)   :: offsets
-real(kind=8), allocatable, dimension(:)   :: spvol, sie_tot, vsum, press, pmax
-real(kind=8), allocatable, dimension(:)   :: temp, bmod, dpde, cv
-real(kind=8), allocatable, dimension(:,:) :: frac_mass, frac_vol, frac_sie
-real(kind=8)                              :: vsumint
-character(len=64)                         :: filename
+program test_sg_fortran_interface
+! modules
+use singularity_eos_types
+use singularity_eos
+! no implicit vars
+implicit none
+! variable declaration
+integer                                   :: nmat, res
+type(sg_eos_ary_t)                        :: eos
 
-ncell = 1
+! set test parameters
 nmat = 3
-filename = "../data/materials.sp5"
 
-! allocate arrays
-allocate(spvol(ncell), sie_tot(ncell), temp(ncell), press(ncell), vsum(ncell))
-allocate(bmod(ncell), dpde(ncell), cv(ncell), pmax(ncell))
-allocate(offsets(ncell))
-allocate(frac_mass(ncell, nmat))
-allocate(frac_vol(ncell, nmat), frac_sie(ncell, nmat))
-! initialize eos's
-res = init_bd_eos_f(nmat, eos)
+! allocate and initialize eos's
+res = init_sg_eos_f(nmat, eos)
 
-res = init_Gruneisen_f(1, eos, 394000.d0, 1.489d0, 0.d0, 0.d0, 2.02d0, 0.47d0,&
+res = init_sg_Gruneisen_f(1, eos, 394000.d0, 1.489d0, 0.d0, 0.d0, 2.02d0, 0.47d0,&
                        8.93d0, 297.0d0, 1.0d6, 0.383d7)
-res = init_DavisReactants_f(2, eos, 1.890d0, 4.115d10, 1.0d6, 297.0d0, 1.8d0,&
+res = init_sg_DavisReactants_f(2, eos, 1.890d0, 4.115d10, 1.0d6, 297.0d0, 1.8d0,&
                             4.6d0, 0.34d0, 0.56d0,0.d0, 0.4265d0, 0.001074d10)
-res = init_DavisProducts_f(3, eos, 0.798311d0, 0.58d0, 1.35d0, 2.66182d0,&
+res = init_sg_DavisProducts_f(3, eos, 0.798311d0, 0.58d0, 1.35d0, 2.66182d0,&
                            0.75419d0, 3.2d10, 0.001072d10, 0.d0)
-!matid = 4272
-!res = init_SpinerDependsRhoT_f(2, eos, filename, matid)
-!matid = 5030
-!res = init_SpinerDependsRhoT_f(3, eos, filename, matid)
-! initialize state variables
-call srand(10)
-press = 0.d0
-do i=1,ncell
-  vsum(i) = 1.0d-2
-  frac_mass(i,1) = 8.93d0*vsum(i)*0.33
-  frac_mass(i,2) = 1.89d0*vsum(i)*.033
-  frac_mass(i,3) = 2.5d0*vsum(i)*0.34
-  sie_tot(i) = 0.d0
-  spvol(i) = 0.d0
-  !vsum(i) = 0.d0
-  offsets(i) = i
-  frac_sie(i,1) = 1.16049000000000000d+09
-  frac_sie(i,2) = 4.50111706015744858d+10
-  frac_sie(i,3) = 3.29477034927098885d+10
-  temp(i) = 0.d0
-  ! frac_vols will be normalized in eos call
-  do j=1,nmat
-    frac_vol(i,j) = 0.d0
-  enddo
-  do j=1,nmat
-    spvol(i) = spvol(i) + frac_mass(i,j)
-    sie_tot(i) = sie_tot(i) + frac_mass(i,j)*frac_sie(i,j)
-    frac_sie(i,j) = frac_sie(i,j)*frac_mass(i,j) ! needs to be energy
-  enddo
-  sie_tot(i) = sie_tot(i)/spvol(i)
-  spvol(i) = vsum(i)/spvol(i)
-enddo
 
-!write(*,*) 'spvol', spvol
-write(*,*) frac_mass, frac_vol, frac_sie
-! calculate PTE eos
-res = get_bd_eos_f(nmat, ncell, ncell, 0, eos, offsets, press, pmax, vsum,&
-                   spvol, sie_tot, temp, bmod, dpde, cv, frac_mass, frac_vol,&
-                   frac_sie)
-
-write(*,*) press, cv, bmod, temp
-write(*,*) frac_mass, frac_vol, frac_sie
 ! cleanup
-res = finalize_bd_eos_f(nmat, eos)
+res = finalize_sg_eos_f(nmat, eos)
 
-deallocate(vsum, sie_tot, spvol, frac_mass, temp, press, frac_vol, frac_sie)
-deallocate(bmod, dpde, cv, offsets, pmax)
-end program test
+end program test_sg_fortran_interface