Merge pull request #30 from PhilipFackler/fix-OffloadBuildErrors

Further template propagation to fix offload build

src/Numerics/OneDimGridFactory.cpp

@@ -13,19 +13,21 @@
 
 
 #include "OneDimGridFactory.h"
+#include "Configuration.h"
 #include "OhmmsData/AttributeSet.h"
 #include "Message/UniformCommunicateError.h"
 
 namespace qmcplusplus
 {
-std::unique_ptr<OneDimGridFactory::GridType> OneDimGridFactory::createGrid(xmlNodePtr cur)
+template <typename T>
+std::unique_ptr<typename OneDimGridFactory<T>::GridType> OneDimGridFactory<T>::createGrid(xmlNodePtr cur)
 {
   std::unique_ptr<GridType> agrid;
   RealType ri     = 1e-5;
   RealType rf     = 100.0;
   RealType ascale = -1.0e0;
   RealType astep  = 1.25e-2;
-  IndexType npts  = 1001;
+  QMCTraits::IndexType npts  = 1001;
   std::string gridType("log");
   std::string gridID("invalid");
   OhmmsAttributeSet radAttrib;
@@ -74,4 +76,7 @@ std::unique_ptr<OneDimGridFactory::GridType> OneDimGridFactory::createGrid(xmlNo
   }
   return agrid;
 }
+
+template struct OneDimGridFactory<double>;
+template struct OneDimGridFactory<float>;
 } // namespace qmcplusplus

src/Numerics/OneDimGridFactory.h

@@ -14,15 +14,17 @@
 
 #ifndef QMCPLUSPLUS_ONEDIMGRIDFACTORY_H
 #define QMCPLUSPLUS_ONEDIMGRIDFACTORY_H
-#include "Configuration.h"
 #include "Numerics/OneDimGridFunctor.h"
+#include "Numerics/LibxmlNumericIO.h"
 
 namespace qmcplusplus
 {
 /** Factory class using Singleton pattern
  */
-struct OneDimGridFactory : public QMCTraits
+template <typename T>
+struct OneDimGridFactory
 {
+  using RealType = T;
   ///typedef of the one-dimensional grid
   using GridType = OneDimGridBase<RealType>;
 

src/Numerics/SoaCartesianTensor.h

@@ -37,7 +37,7 @@ namespace qmcplusplus
 template<class T>
 struct SoaCartesianTensor
 {
-  using value_type = T;
+  using ValueType = T;
   using ggg_type   = TinyVector<Tensor<T, 3>, 3>;
 
   ///maximum angular momentum

src/Numerics/SoaSphericalTensor.h

@@ -37,6 +37,8 @@ namespace qmcplusplus
 template<typename T>
 struct SoaSphericalTensor
 {
+  using ValueType = T;
+
   ///maximum angular momentum for the center
   int Lmax;
   /// Normalization factors

src/Particle/CMakeLists.txt

@@ -15,22 +15,30 @@
 set(PARTICLE
     InitMolecularSystem.cpp
     SimulationCell.cpp
+    SimulationCellT.cpp
     ParticleSetPool.cpp
     ParticleSet.cpp
+    ParticleSetT.cpp
     PSdispatcher.cpp
     VirtualParticleSet.cpp
+    VirtualParticleSetT.cpp
     ParticleSet.BC.cpp
     DynamicCoordinatesBuilder.cpp
+    DynamicCoordinatesT.cpp
     MCCoords.cpp
+    MCCoordsT.cpp
     MCWalkerConfiguration.cpp
     WalkerConfigurations.cpp
     SpeciesSet.cpp
     SampleStack.cpp
     createDistanceTableAA.cpp
     createDistanceTableAB.cpp
+    createDistanceTableT.cpp
     HDFWalkerInputManager.cpp
     LongRange/KContainer.cpp
+    LongRange/KContainerT.cpp
     LongRange/StructFact.cpp
+    LongRange/StructFactT.cpp
     LongRange/LPQHIBasis.cpp
     LongRange/LPQHISRCoulombBasis.cpp
     LongRange/EwaldHandlerQuasi2D.cpp
@@ -51,6 +59,7 @@ target_include_directories(qmcparticle PUBLIC "${CMAKE_CURRENT_SOURCE_DIR}")
 target_link_libraries(qmcparticle PRIVATE platform_cpu_LA)
 target_link_libraries(qmcparticle PUBLIC qmcnumerics qmcutil platform_runtime)
 set(PARTICLE_OMPTARGET_SRCS
+    createDistanceTableTOMPTarget.cpp
     createDistanceTableAAOMPTarget.cpp
     createDistanceTableABOMPTarget.cpp)