walberla: Remove Boost dependency

The waLBerla module now only uses Boost in the unit tests.

src/core/grid_based_algorithms/lb_interface.cpp

@@ -26,15 +26,14 @@
 #include "grid.hpp"
 
 #include <utils/Vector.hpp>
-#include <utils/mpi/reduce_optional.hpp>
 
-#include <boost/optional.hpp>
-#include <boost/serialization/access.hpp>
-#include <boost/serialization/vector.hpp>
+#include <boost/mpi/collectives/reduce.hpp>
+#include <boost/mpi/communicator.hpp>
 
 #include <cmath>
 #include <functional>
 #include <limits>
+#include <optional>
 #include <stdexcept>
 #include <string>
 #include <vector>
@@ -147,7 +146,7 @@ Utils::Vector3d calc_fluid_momentum() {
   throw NoLBActive();
 }
 
-boost::optional<Utils::Vector3d>
+std::optional<Utils::Vector3d>
 get_interpolated_velocity(Utils::Vector3d const &pos) {
   if (lattice_switch == ActiveLB::WALBERLA_LB) {
 #ifdef WALBERLA
@@ -158,7 +157,7 @@ get_interpolated_velocity(Utils::Vector3d const &pos) {
   throw NoLBActive();
 }
 
-boost::optional<double> get_interpolated_density(Utils::Vector3d const &pos) {
+std::optional<double> get_interpolated_density(Utils::Vector3d const &pos) {
   if (lattice_switch == ActiveLB::WALBERLA_LB) {
 #ifdef WALBERLA
     auto const folded_pos = folded_position(pos, box_geo) / get_agrid();

src/core/grid_based_algorithms/lb_interface.hpp

@@ -21,8 +21,7 @@
 
 #include <utils/Vector.hpp>
 
-#include <boost/optional.hpp>
-
+#include <optional>
 #include <stdexcept>
 
 // Forward Declarations
@@ -116,7 +115,7 @@ Utils::Vector3d calc_fluid_momentum();
  * @param pos Position at which the velocity is to be calculated.
  * @retval optional interpolated fluid velocity.
  */
-boost::optional<Utils::Vector3d>
+std::optional<Utils::Vector3d>
 get_interpolated_velocity(Utils::Vector3d const &pos);
 
 /**
@@ -125,7 +124,7 @@ get_interpolated_velocity(Utils::Vector3d const &pos);
  * @param pos Position at which the density is to be calculated.
  * @retval optional interpolated fluid density.
  */
-boost::optional<double> get_interpolated_density(Utils::Vector3d const &pos);
+std::optional<double> get_interpolated_density(Utils::Vector3d const &pos);
 
 } // namespace LB
 

src/script_interface/particle_data/ParticleHandle.cpp

@@ -47,6 +47,7 @@
 #include <cmath>
 #include <cstddef>
 #include <memory>
+#include <optional>
 #include <set>
 #include <sstream>
 #include <stdexcept>
@@ -134,7 +135,7 @@ template <typename T, class F>
 T ParticleHandle::get_particle_property(F const &fun) const {
   auto const &comm = context()->get_comm();
   auto const ptr = const_cast<Particle const *>(get_real_particle(comm, m_pid));
-  boost::optional<T> ret;
+  std::optional<T> ret;
   if (ptr == nullptr) {
     ret = {};
   } else {

src/script_interface/walberla/EKContainer.hpp

@@ -32,7 +32,9 @@
 #include <script_interface/ObjectList.hpp>
 #include <script_interface/ScriptInterface.hpp>
 
+#include <cassert>
 #include <memory>
+#include <optional>
 #include <string>
 
 namespace ScriptInterface::walberla {
@@ -132,7 +134,7 @@ class EKContainer : public ObjectList<EKSpecies> {
   }
 
   void set_solver(Variant const &solver_variant) {
-    boost::optional<decltype(m_poisson_solver)> solver;
+    std::optional<decltype(m_poisson_solver)> solver;
     if (is_none(solver_variant)) {
       solver = std::shared_ptr<EKNone>();
     } else {
@@ -146,6 +148,7 @@ class EKContainer : public ObjectList<EKSpecies> {
         solver = get_value<std::shared_ptr<EKNone>>(solver_variant);
       }
     }
+    assert(solver.has_value());
     m_poisson_solver = *solver;
     auto const visitor = GetPoissonSolverInstance();
     auto const instance = boost::apply_visitor(visitor, m_poisson_solver);

src/script_interface/walberla/EKSpecies.cpp

@@ -21,21 +21,21 @@
 #ifdef WALBERLA
 
 #include "EKSpecies.hpp"
+#include "EKWalberlaNodeState.hpp"
 #include "WalberlaCheckpoint.hpp"
 
 #include <walberla_bridge/LatticeWalberla.hpp>
-#include <walberla_bridge/electrokinetics/EKWalberlaNodeState.hpp>
 #include <walberla_bridge/electrokinetics/ek_walberla_init.hpp>
 
 #include <boost/mpi.hpp>
 #include <boost/mpi/collectives/all_reduce.hpp>
 #include <boost/mpi/collectives/broadcast.hpp>
-#include <boost/optional.hpp>
 
 #include <algorithm>
 #include <cassert>
 #include <functional>
 #include <memory>
+#include <optional>
 #include <sstream>
 #include <stdexcept>
 #include <string>
@@ -207,8 +207,8 @@ void EKSpecies::save_checkpoint(std::string const &filename, int mode) {
   auto const write_data = [&ek_obj,
                            mode](std::shared_ptr<CheckpointFile> cpfile_ptr,
                                  Context const &context) {
-    auto const get_node_checkpoint = [&](Utils::Vector3i const &ind)
-        -> boost::optional<EKWalberlaNodeState> {
+    auto const get_node_checkpoint =
+        [&](Utils::Vector3i const &ind) -> std::optional<EKWalberlaNodeState> {
       auto const density = ek_obj.get_node_density(ind);
       auto const is_b_d = ek_obj.get_node_is_density_boundary(ind);
       auto const dens_b = ek_obj.get_node_density_at_boundary(ind);
@@ -229,7 +229,7 @@ void EKSpecies::save_checkpoint(std::string const &filename, int mode) {
         }
         return cpnode;
       }
-      return {boost::none};
+      return std::nullopt;
     };
 
     auto failure = false;

src/script_interface/walberla/EKSpeciesNode.cpp

@@ -32,18 +32,18 @@
 #include <utils/mpi/reduce_optional.hpp>
 
 #include <boost/mpi/collectives/all_reduce.hpp>
-#include <boost/optional.hpp>
 #include <boost/serialization/vector.hpp>
 
 #include <cassert>
 #include <memory>
+#include <optional>
 #include <stdexcept>
 #include <string>
 
 namespace ScriptInterface::walberla {
 
 static bool is_boundary_all_reduce(boost::mpi::communicator const &comm,
-                                   boost::optional<bool> const &is_boundary) {
+                                   std::optional<bool> const &is_boundary) {
   return boost::mpi::all_reduce(comm, is_boundary ? *is_boundary : false,
                                 std::logical_or<>());
 }

src/script_interface/walberla/EKSpeciesSlice.hpp

@@ -38,15 +38,16 @@
 
 #include <cassert>
 #include <memory>
+#include <optional>
 #include <string>
 #include <type_traits>
 #include <unordered_map>
 #include <vector>
 
 namespace ScriptInterface::walberla {
 
-using DensityBoundaryType = boost::optional<double>;
-using FluxBoundaryType = boost::optional<Utils::Vector3d>;
+using DensityBoundaryType = std::optional<double>;
+using FluxBoundaryType = std::optional<Utils::Vector3d>;
 
 struct EKFieldSerializer {
 
@@ -77,7 +78,7 @@ struct EKFieldSerializer {
       auto const vector_variants = get_value<std::vector<Variant>>(variant);
       for (auto const &value : vector_variants) {
         if (is_none(value)) {
-          values.emplace_back(boost::none);
+          values.emplace_back(std::nullopt);
         } else {
           values.emplace_back(get_value<Utils::Vector3d>(value));
         }
@@ -86,7 +87,7 @@ struct EKFieldSerializer {
       auto const vector_variants = get_value<std::vector<Variant>>(variant);
       for (auto const &value : vector_variants) {
         if (is_none(value)) {
-          values.emplace_back(boost::none);
+          values.emplace_back(std::nullopt);
         } else {
           values.emplace_back(get_value<double>(value));
         }

src/walberla_bridge/include/walberla_bridge/electrokinetics/EKWalberlaNodeState.hpp → src/script_interface/walberla/EKWalberlaNodeState.hpp

@@ -21,6 +21,8 @@
 
 #include <utils/Vector.hpp>
 
+#include <boost/serialization/access.hpp>
+
 /** Checkpoint data for a EK node. */
 struct EKWalberlaNodeState {
   double density;
@@ -32,7 +34,7 @@ struct EKWalberlaNodeState {
 private:
   friend boost::serialization::access;
   template <typename Archive>
-  void serialize(Archive &ar, long int /* version */) {
+  void serialize(Archive &ar, unsigned int /* version */) {
     ar &density &is_boundary_density &density_boundary &is_boundary_flux
         &flux_boundary;
   }

src/script_interface/walberla/LBFluid.cpp

@@ -21,6 +21,7 @@
 #ifdef WALBERLA
 
 #include "LBFluid.hpp"
+#include "LBWalberlaNodeState.hpp"
 #include "WalberlaCheckpoint.hpp"
 
 #include "core/BoxGeometry.hpp"
@@ -34,7 +35,6 @@
 #include <script_interface/communication.hpp>
 
 #include <walberla_bridge/LatticeWalberla.hpp>
-#include <walberla_bridge/lattice_boltzmann/LBWalberlaNodeState.hpp>
 #include <walberla_bridge/lattice_boltzmann/LeesEdwardsPack.hpp>
 #include <walberla_bridge/lattice_boltzmann/lb_walberla_init.hpp>
 
@@ -45,13 +45,13 @@
 #include <boost/mpi.hpp>
 #include <boost/mpi/collectives/all_reduce.hpp>
 #include <boost/mpi/collectives/broadcast.hpp>
-#include <boost/optional.hpp>
 
 #include <algorithm>
 #include <cassert>
 #include <cstddef>
 #include <functional>
 #include <memory>
+#include <optional>
 #include <sstream>
 #include <stdexcept>
 #include <string>
@@ -299,8 +299,8 @@ void LBFluid::save_checkpoint(std::string const &filename, int mode) {
   auto const write_data = [&lb_obj,
                            mode](std::shared_ptr<CheckpointFile> cpfile_ptr,
                                  Context const &context) {
-    auto const get_node_checkpoint = [&](Utils::Vector3i const &ind)
-        -> boost::optional<LBWalberlaNodeState> {
+    auto const get_node_checkpoint =
+        [&](Utils::Vector3i const &ind) -> std::optional<LBWalberlaNodeState> {
       auto const pop = lb_obj.get_node_population(ind);
       auto const laf = lb_obj.get_node_last_applied_force(ind);
       auto const lbb = lb_obj.get_node_is_boundary(ind);
@@ -313,9 +313,9 @@ void LBFluid::save_checkpoint(std::string const &filename, int mode) {
         if (*lbb) {
           cpnode.slip_velocity = *vbb;
         }
-        return cpnode;
+        return {cpnode};
       }
-      return {boost::none};
+      return std::nullopt;
     };
 
     auto failure = false;

src/script_interface/walberla/LBFluid.hpp

@@ -33,7 +33,6 @@
 
 #include <walberla_bridge/LatticeModel.hpp>
 #include <walberla_bridge/lattice_boltzmann/LBWalberlaBase.hpp>
-#include <walberla_bridge/lattice_boltzmann/LBWalberlaNodeState.hpp>
 
 #include <utils/Vector.hpp>
 #include <utils/math/int_pow.hpp>

src/script_interface/walberla/LBFluidNode.cpp

@@ -29,15 +29,15 @@
 
 #include <boost/mpi/collectives/all_reduce.hpp>
 #include <boost/mpi/communicator.hpp>
-#include <boost/optional.hpp>
 
+#include <optional>
 #include <string>
 #include <vector>
 
 namespace ScriptInterface::walberla {
 
 static bool is_boundary_all_reduce(boost::mpi::communicator const &comm,
-                                   boost::optional<bool> const &is_boundary) {
+                                   std::optional<bool> const &is_boundary) {
   return boost::mpi::all_reduce(comm, is_boundary ? *is_boundary : false,
                                 std::logical_or<>());
 }
@@ -113,7 +113,7 @@ Variant LBFluidNode::do_call_method(std::string const &name,
   }
   if (name == "get_pressure_tensor" or name == "get_pressure_tensor_neq") {
     auto const result = m_lb_fluid->get_node_pressure_tensor(m_index);
-    auto value = boost::optional<std::vector<double>>{};
+    auto value = std::optional<std::vector<double>>{};
     if (result) {
       value = (*result / m_conv_press).as_vector();
     }

src/script_interface/walberla/LBFluidSlice.hpp

@@ -38,14 +38,15 @@
 
 #include <cassert>
 #include <memory>
+#include <optional>
 #include <string>
 #include <type_traits>
 #include <unordered_map>
 #include <vector>
 
 namespace ScriptInterface::walberla {
 
-using VelocityBounceBackType = boost::optional<Utils::Vector3d>;
+using VelocityBounceBackType = std::optional<Utils::Vector3d>;
 
 struct LBFieldSerializer {
   template <typename T> static Variant serialize(std::vector<T> const &values) {
@@ -74,7 +75,7 @@ struct LBFieldSerializer {
       auto const vector_variants = get_value<std::vector<Variant>>(variant);
       for (auto const &value : vector_variants) {
         if (is_none(value)) {
-          values.emplace_back(boost::none);
+          values.emplace_back(std::nullopt);
         } else {
           values.emplace_back(get_value<Utils::Vector3d>(value));
         }

src/walberla_bridge/include/walberla_bridge/lattice_boltzmann/LBWalberlaNodeState.hpp → src/script_interface/walberla/LBWalberlaNodeState.hpp

@@ -21,6 +21,8 @@
 
 #include <utils/Vector.hpp>
 
+#include <boost/serialization/access.hpp>
+
 #include <vector>
 
 /** Checkpoint data for a LB node. */
@@ -33,7 +35,7 @@ struct LBWalberlaNodeState {
 private:
   friend boost::serialization::access;
   template <typename Archive>
-  void serialize(Archive &ar, long int /* version */) {
+  void serialize(Archive &ar, unsigned int /* version */) {
     ar &populations &last_applied_force &slip_velocity &is_boundary;
   }
 };