Particle Names from AMReX

cmake/dependencies/ABLASTR.cmake

@@ -162,15 +162,15 @@ set(ImpactX_openpmd_src ""
 set(ImpactX_ablastr_repo "https://github.com/ECP-WarpX/WarpX.git"
     CACHE STRING
     "Repository URI to pull and build ABLASTR from if(ImpactX_ablastr_internal)")
-set(ImpactX_ablastr_branch "25.01"
+set(ImpactX_ablastr_branch "958a39463c9e3fea0bbe1da0306104ccf9a2164c"
     CACHE STRING
     "Repository branch for ImpactX_ablastr_repo if(ImpactX_ablastr_internal)")
 
 # AMReX is transitively pulled through ABLASTR
 set(ImpactX_amrex_repo "https://github.com/AMReX-Codes/amrex.git"
     CACHE STRING
     "Repository URI to pull and build AMReX from if(ImpactX_amrex_internal)")
-set(ImpactX_amrex_branch "f6d3d70cadfc03036f5fdc4f89b7fcb225792716"
+set(ImpactX_amrex_branch ""
     CACHE STRING
     "Repository branch for ImpactX_amrex_repo if(ImpactX_amrex_internal)")
 

cmake/dependencies/pyAMReX.cmake

@@ -74,7 +74,7 @@ option(ImpactX_pyamrex_internal "Download & build pyAMReX" ON)
 set(ImpactX_pyamrex_repo "https://github.com/AMReX-Codes/pyamrex.git"
     CACHE STRING
     "Repository URI to pull and build pyamrex from if(ImpactX_pyamrex_internal)")
-set(ImpactX_pyamrex_branch "25.01"
+set(ImpactX_pyamrex_branch "458c9ae7ab3cd4ca4e4e9736e82c60f9a7e7606c"
     CACHE STRING
     "Repository branch for ImpactX_pyamrex_repo if(ImpactX_pyamrex_internal)")
 

examples/requirements.txt

@@ -1,7 +1,9 @@
 -r ../requirements.txt
+# Work-Around for https://github.com/nkarast/PyNAFF/pull/10
+# pynaff
+git+https://github.com/ax3l/PyNAFF.git@fix-complex-warning
 matplotlib
 numpy
 openpmd-api
 pandas
-pynaff
 scipy

requirements.txt

@@ -1,2 +1,2 @@
-numpy~=1.15
+numpy>=1.15
 quantiphy~=2.19

src/particles/CollectLost.cpp

@@ -58,7 +58,7 @@ namespace impactx
         ImpactXParticleContainer& dest = *source.GetLostParticleContainer();
 
         // Check destination has the same attributes as source + "s_lost"
-        for (auto & name : source.RealSoA_names())
+        for (auto & name : source.GetRealSoANames())
         {
             if (!dest.HasRealComp(name)) {
                 amrex::Print() << "adding " << name << std::endl;
@@ -67,7 +67,7 @@ namespace impactx
             AMREX_ALWAYS_ASSERT_WITH_MESSAGE(source.GetRealCompIndex(name) == dest.GetRealCompIndex(name),
                                              "Source and destination Real attributes misaligned!");
         }
-        for (auto & name : source.intSoA_names())
+        for (auto & name : source.GetIntSoANames())
         {
             if (!dest.HasIntComp(name)) {
                 dest.AddIntComp(name);
@@ -81,9 +81,9 @@ namespace impactx
             bool comm = true;
             dest.AddRealComp("s_lost", comm);
         }
-        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(source.RealSoA_names().size() + 1 == dest.RealSoA_names().size(),
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(source.GetRealSoANames().size() + 1 == dest.GetRealSoANames().size(),
                                          "Source and destination have different Real attributes!");
-        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(source.intSoA_names().size() == dest.intSoA_names().size(),
+        AMREX_ALWAYS_ASSERT_WITH_MESSAGE(source.GetIntSoANames().size() == dest.GetIntSoANames().size(),
                                          "Source and destination have different Int attributes!");
 
         const int s_runtime_index = dest.GetRealCompIndex("s_lost") - dest.NArrayReal;

src/particles/ImpactXParticleContainer.H

@@ -143,52 +143,6 @@ namespace impactx
         //! Destruct a particle container
         virtual ~ImpactXParticleContainer() = default;
 
-        /** Check if a container has a ParticleReal component
-         *
-         * @param name component name to check
-         * @return true if found, else false
-         */
-        bool HasRealComp (std::string const & name);
-
-        /** Check if a container has an Integer component
-         *
-         * @param name component name to check
-         * @return true if found, else false
-         */
-        bool HasIntComp (std::string const & name);
-
-        /** Get the ParticleReal SoA index of a component
-         *
-         * This throws a runtime exception if the component does not exist.
-         *
-         * @param name component name to query index for
-         * @return zero-based index
-         */
-        int GetRealCompIndex (std::string const & name);
-
-        /** Get the Integer SoA index of a component
-         *
-         * This throws a runtime exception if the component does not exist.
-         *
-         * @param name component name to query index for
-         * @return zero-based index
-         */
-        int GetIntCompIndex (std::string const & name);
-
-        /** Add a ParticleReal component
-         *
-         * @param name a unique name of the component, not colliding with RealSoA
-         * @param communicate participate in MPI communication when particles move
-         */
-        void AddRealComp (std::string const & name, bool communicate=true);
-
-        /** Add an Integer component
-         *
-         * @param name a unique name of the component, not colliding with IntSoA
-         * @param communicate participate in MPI communication when particles move
-         */
-        void AddIntComp (std::string const & name, bool communicate=true);
-
         /** Add new particles to the container for fixed s.
          *
          * Note: This can only be used *after* the initialization (grids) have
@@ -309,14 +263,6 @@ namespace impactx
         DepositCharge (std::unordered_map<int, amrex::MultiFab> & rho,
                        amrex::Vector<amrex::IntVect> const & ref_ratio);
 
-        /** Get the name of each ParticleReal SoA component */
-        std::vector<std::string>
-        RealSoA_names () const;
-
-        /** Get the name of each int SoA component */
-        std::vector<std::string>
-        intSoA_names () const;
-
         /** Get the current coordinate system of particles in this container */
         CoordSystem
         GetCoordSystem () const;
@@ -342,12 +288,6 @@ namespace impactx
         //! the current coordinate system of particles in this container
         CoordSystem m_coordsystem = CoordSystem::s;
 
-        //! ParticleReal component names
-        std::vector<std::string> m_real_soa_names;
-
-        //! Int component names
-        std::vector<std::string> m_int_soa_names;
-
     }; // ImpactXParticleContainer
 
 } // namespace impactx

src/particles/ImpactXParticleContainer.cpp

@@ -59,62 +59,10 @@ namespace impactx
         : amrex::ParticleContainerPureSoA<RealSoA::nattribs, IntSoA::nattribs>(amr_core->GetParGDB())
     {
         SetParticleSize();
-
-        // name compile-time attributes
-        m_real_soa_names.resize(RealSoA::names_s.size());
-        m_int_soa_names.resize(IntSoA::names_s.size());
-        std::copy(RealSoA::names_s.begin(), RealSoA::names_s.end(), m_real_soa_names.begin());
-        std::copy(IntSoA::names_s.begin(), IntSoA::names_s.end(), m_int_soa_names.begin());
-    }
-
-    bool ImpactXParticleContainer::HasRealComp (std::string const & name)
-    {
-        return std::find(m_real_soa_names.begin(), m_real_soa_names.end(), name) != std::end(m_real_soa_names);
-    }
-
-    bool ImpactXParticleContainer::HasIntComp (std::string const & name)
-    {
-        return std::find(m_int_soa_names.begin(), m_int_soa_names.end(), name) != std::end(m_int_soa_names);
-    }
-
-    int ImpactXParticleContainer::GetRealCompIndex (std::string const & name)
-    {
-        const auto it = std::find(m_real_soa_names.begin(), m_real_soa_names.end(), name);
-
-        if (it == m_real_soa_names.end())
-            throw std::runtime_error("GetRealCompIndex: Component " + name + " does not exist!");
-        else
-            return std::distance(m_real_soa_names.begin(), it);
-    }
-
-    int ImpactXParticleContainer::GetIntCompIndex (std::string const & name)
-    {
-        const auto it = std::find(m_int_soa_names.begin(), m_int_soa_names.end(), name);
-
-        if (it == m_int_soa_names.end())
-            throw std::runtime_error("GetIntCompIndex: Component " + name + " does not exist!");
-        else
-            return std::distance(m_int_soa_names.begin(), it);
-    }
-
-    void
-    ImpactXParticleContainer::AddRealComp (std::string const & name, bool communicate)
-    {
-        if (std::find(m_real_soa_names.begin(), m_real_soa_names.end(), name) != std::end(m_real_soa_names))
-            throw std::runtime_error("AddRealComp: Component " + name + " already exists!");
-
-        m_real_soa_names.push_back(name);
-        amrex::ParticleContainerPureSoA<RealSoA::nattribs, IntSoA::nattribs>::AddRealComp(communicate);
-    }
-
-    void
-    ImpactXParticleContainer::AddIntComp (std::string const & name, bool communicate)
-    {
-        if (std::find(m_int_soa_names.begin(), m_int_soa_names.end(), name) != std::end(m_int_soa_names))
-            throw std::runtime_error("AddIntComp: Component " + name + " already exists!");
-
-        m_int_soa_names.push_back(name);
-        amrex::ParticleContainerPureSoA<RealSoA::nattribs, IntSoA::nattribs>::AddIntComp(communicate);
+        SetSoACompileTimeNames(
+            {RealSoA::names_s.begin(), RealSoA::names_s.end()},
+            {IntSoA::names_s.begin(), IntSoA::names_s.end()}
+        );
     }
 
     void
@@ -300,18 +248,6 @@ namespace impactx
         >(*this);
     }
 
-    std::vector<std::string>
-    ImpactXParticleContainer::RealSoA_names () const
-    {
-        return m_real_soa_names;
-    }
-
-    std::vector<std::string>
-    ImpactXParticleContainer::intSoA_names () const
-    {
-        return m_int_soa_names;
-    }
-
     CoordSystem
     ImpactXParticleContainer::GetCoordSystem () const
     {

src/particles/elements/diagnostics/openPMD.cpp

@@ -336,8 +336,8 @@ namespace detail
         m_rbc = diagnostics::reduced_beam_characteristics(pc);
 
         // component names
-        std::vector<std::string> real_soa_names = pc.RealSoA_names();
-        std::vector<std::string> int_soa_names = pc.intSoA_names();
+        std::vector<std::string> real_soa_names = pc.GetRealSoANames();
+        std::vector<std::string> int_soa_names = pc.GetIntSoANames();
 
         // pinned memory copy
         PinnedContainer pinned_pc = pc.make_alike<amrex::PinnedArenaAllocator>();

src/python/ImpactXParticleContainer.cpp

@@ -130,11 +130,6 @@ void init_impactxparticlecontainer(py::module& m)
              "Charge deposition"
         )
         */
-
-        .def_property_readonly("RealSoA_names", &ImpactXParticleContainer::RealSoA_names,
-              "Get the name of each ParticleReal SoA component")
-        .def_property_readonly("intSoA_names", &ImpactXParticleContainer::intSoA_names,
-               "Get the name of each int SoA component")
     ;
 
     py_pariter_soa.def("pc", &ParIterSoA::pc);

src/python/impactx/__init__.py

@@ -19,7 +19,6 @@
 # import core bindings to C++
 from . import impactx_pybind as cxx
 from .distribution_input_helpers import twiss  # noqa
-from .extensions.ImpactXParIter import register_ImpactXParIter_extension
 from .extensions.ImpactXParticleContainer import (
     register_ImpactXParticleContainer_extension,
 )
@@ -43,5 +42,4 @@
 RefPart.load_file = read_beam  # noqa
 
 # Pure Python extensions to ImpactX types
-register_ImpactXParIter_extension(cxx)
 register_ImpactXParticleContainer_extension(cxx.ImpactXParticleContainer)