NCrystal becomes runtime rather than buildtime dependency (#3328)

Co-authored-by: Paul Romano <paul.k.romano@gmail.com>

.github/workflows/ci.yml

@@ -29,7 +29,6 @@ jobs:
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
-        ncrystal: [n]
         libmesh: [n]
         event: [n]
         vectfit: [n]
@@ -45,10 +44,6 @@ jobs:
             python-version: "3.11"
             mpi: y
             omp: y
-          - ncrystal: y
-            python-version: "3.11"
-            mpi: n
-            omp: n
           - libmesh: y
             python-version: "3.11"
             mpi: y
@@ -66,7 +61,7 @@ jobs:
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
-      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }}, ncrystal=${{ matrix.ncrystal }},
+      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }},
       libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}
       vectfit=${{ matrix.vectfit }})"
 
@@ -75,7 +70,6 @@ jobs:
       PHDF5: ${{ matrix.mpi }}
       OMP: ${{ matrix.omp }}
       DAGMC: ${{ matrix.dagmc }}
-      NCRYSTAL: ${{ matrix.ncrystal }}
       EVENT: ${{ matrix.event }}
       VECTFIT: ${{ matrix.vectfit }}
       LIBMESH: ${{ matrix.libmesh }}

CMakeLists.txt

@@ -37,7 +37,6 @@ option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
-option(OPENMC_USE_NCRYSTAL    "Enable support for NCrystal scattering"               OFF)
 option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
 
 message(STATUS "OPENMC_USE_OPENMP ${OPENMC_USE_OPENMP}")
@@ -48,7 +47,6 @@ message(STATUS "OPENMC_USE_DAGMC ${OPENMC_USE_DAGMC}")
 message(STATUS "OPENMC_USE_LIBMESH ${OPENMC_USE_LIBMESH}")
 message(STATUS "OPENMC_USE_MPI ${OPENMC_USE_MPI}")
 message(STATUS "OPENMC_USE_MCPL ${OPENMC_USE_MCPL}")
-message(STATUS "OPENMC_USE_NCRYSTAL ${OPENMC_USE_NCRYSTAL}")
 message(STATUS "OPENMC_USE_UWUW ${OPENMC_USE_UWUW}")
 
 # Warnings for deprecated options
@@ -120,23 +118,6 @@ macro(find_package_write_status pkg)
   endif()
 endmacro()
 
-#===============================================================================
-# NCrystal Scattering Support
-#===============================================================================
-
-if(OPENMC_USE_NCRYSTAL)
-  if(NOT DEFINED "NCrystal_DIR")
-    #Invocation of "ncrystal-config --show cmakedir" is needed to find NCrystal
-    #when it is installed from Python wheels:
-    execute_process(
-      COMMAND "ncrystal-config" "--show" "cmakedir"
-      OUTPUT_VARIABLE "NCrystal_DIR" OUTPUT_STRIP_TRAILING_WHITESPACE
-    )
-  endif()
-  find_package(NCrystal 3.8.0 REQUIRED)
-  message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
-endif()
-
 #===============================================================================
 # DAGMC Geometry Support - need DAGMC/MOAB
 #===============================================================================
@@ -372,6 +353,7 @@ list(APPEND libopenmc_SOURCES
   src/mgxs.cpp
   src/mgxs_interface.cpp
   src/ncrystal_interface.cpp
+  src/ncrystal_load.cpp
   src/nuclide.cpp
   src/output.cpp
   src/particle.cpp
@@ -548,11 +530,6 @@ if (OPENMC_USE_MCPL)
   target_link_libraries(libopenmc MCPL::mcpl)
 endif()
 
-if(OPENMC_USE_NCRYSTAL)
-  target_compile_definitions(libopenmc PRIVATE NCRYSTAL)
-  target_link_libraries(libopenmc NCrystal::NCrystal)
-endif()
-
 #===============================================================================
 # Log build info that this executable can report later
 #===============================================================================

CODEOWNERS

@@ -60,7 +60,8 @@ Dockerfile @shimwell
 src/random_ray/ @jtramm
 
 # NCrystal interface
-src/ncrystal_interface.cpp @marquezj
+src/ncrystal_interface.cpp @marquezj @tkittel
+src/ncrystal_load.cpp @marquezj @tkittel
 
 # MCPL interface
 src/mcpl_interface.cpp @ebknudsen

cmake/OpenMCConfig.cmake.in

@@ -8,19 +8,6 @@ if(@OPENMC_USE_DAGMC@)
   find_package(DAGMC REQUIRED HINTS @DAGMC_DIR@)
 endif()
 
-if(@OPENMC_USE_NCRYSTAL@)
-  if(NOT DEFINED "NCrystal_DIR")
-    #Invocation of "ncrystal-config --show cmakedir" is needed to find NCrystal
-    #when it is installed from Python wheels:
-    execute_process(
-      COMMAND "ncrystal-config" "--show" "cmakedir"
-      OUTPUT_VARIABLE "NCrystal_DIR" OUTPUT_STRIP_TRAILING_WHITESPACE
-    )
-  endif()
-  find_package(NCrystal REQUIRED)
-  message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
-endif()
-
 if(@OPENMC_USE_LIBMESH@)
   include(FindPkgConfig)
   list(APPEND CMAKE_PREFIX_PATH @LIBMESH_PREFIX@)

docs/source/usersguide/install.rst

@@ -284,13 +284,13 @@ Prerequisites
 
     * NCrystal_ library for defining materials with enhanced thermal neutron transport
 
-      Adding this option allows the creation of materials from NCrystal, which
+      OpenMC supports the creation of materials from NCrystal, which replaces
-      replaces the scattering kernel treatment of ACE files with a modular,
+      the scattering kernel treatment of ACE files with a modular, on-the-fly
-      on-the-fly approach. To use it `install
+      approach. OpenMC does not need any particular build option to use this,
-      <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ NCrystal and
+      but NCrystal must be installed on the system. Refer to `NCrystal
-      turn on the option in the CMake configuration step::
+      documentation
-
+      <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ for how this is
-          cmake -DOPENMC_USE_NCRYSTAL=on ..
+      achieved.
 
     * libMesh_ mesh library framework for numerical simulations of partial differential equations
 
@@ -393,12 +393,6 @@ OPENMC_USE_MCPL
   Turns on support for reading MCPL_ source files and writing MCPL source points
   and surface sources. (Default: off)
 
-OPENMC_USE_NCRYSTAL
-  Turns on support for NCrystal materials. NCrystal must be `installed
-  <https://github.com/mctools/ncrystal/wiki/Get-NCrystal>`_ and `initialized
-  <https://github.com/mctools/ncrystal/wiki/Using-NCrystal#setting-up>`_.
-  (Default: off)
-
 OPENMC_USE_LIBMESH
   Enables the use of unstructured mesh tallies with libMesh_. (Default: off)
 

include/openmc/ncrystal_interface.h

@@ -1,10 +1,7 @@
 #ifndef OPENMC_NCRYSTAL_INTERFACE_H
 #define OPENMC_NCRYSTAL_INTERFACE_H
 
-#ifdef NCRYSTAL
+#include "openmc/ncrystal_load.h"
-#include "NCrystal/NCrystal.hh"
-#endif
-
 #include "openmc/particle.h"
 
 #include <cstdint> // for uint64_t
@@ -17,28 +14,25 @@ namespace openmc {
 // Constants
 //==============================================================================
 
-extern "C" const bool NCRYSTAL_ENABLED;
-
 //! Energy in [eV] to switch between NCrystal and ENDF
 constexpr double NCRYSTAL_MAX_ENERGY {5.0};
 
 //==============================================================================
-// Wrapper class an NCrystal material
+// Wrapper class for an NCrystal material
 //==============================================================================
 
 class NCrystalMat {
 public:
   //----------------------------------------------------------------------------
   // Constructors
-  NCrystalMat() = default;
+  NCrystalMat() = default; // empty object
   explicit NCrystalMat(const std::string& cfg);
 
   //----------------------------------------------------------------------------
   // Methods
 
-#ifdef NCRYSTAL
+  //! Return configuration string:
-  //! Return configuration string
+  const std::string& cfg() const { return cfg_; }
-  std::string cfg() const;
 
   //! Get cross section from NCrystal material
   //
@@ -52,25 +46,21 @@ public:
   void scatter(Particle& p) const;
 
   //! Whether the object holds a valid NCrystal material
-  operator bool() const;
+  operator bool() const { return !cfg_.empty(); }
-#else
 
-  //----------------------------------------------------------------------------
+  NCrystalMat clone() const
-  // Trivial methods when compiling without NCRYSTAL
+  {
-  std::string cfg() const { return ""; }
+    NCrystalMat c;
-  double xs(const Particle& p) const { return -1.0; }
+    c.cfg_ = cfg_;
-  void scatter(Particle& p) const {}
+    c.proc_ = proc_.clone();
-  operator bool() const { return false; }
+    return c;
-#endif
+  }
 
 private:
   //----------------------------------------------------------------------------
   // Data members (only present when compiling with NCrystal support)
-#ifdef NCRYSTAL
   std::string cfg_;       //!< NCrystal configuration string
-  std::shared_ptr<const NCrystal::ProcImpl::Process>
+  NCrystalScatProc proc_; //!< NCrystal scatter process
-    ptr_; //!< Pointer to NCrystal material object
-#endif
 };
 
 //==============================================================================

include/openmc/ncrystal_load.h

@@ -0,0 +1,127 @@
+//! \file ncrystal_load.h
+//! \brief Helper class taking care of loading NCrystal at runtime.
+
+#ifndef OPENMC_NCRYSTAL_LOAD_H
+#define OPENMC_NCRYSTAL_LOAD_H
+
+#include <algorithm>  // for swap
+#include <functional> // for function
+#include <memory>     // for shared_ptr
+#include <utility>    // for move
+
+namespace NCrystalVirtualAPI {
+
+// NOTICE: Do NOT make ANY changes in the NCrystalVirtualAPI::VirtAPI_Type1_v1
+// class, it is required to stay exactly constant over time and compatible with
+// the same definition used to compile the NCrystal library! But changes to
+// white space, comments, and formatting is of course allowed.  This API was
+// introduced in NCrystal 4.1.0.
+
+//! Abstract base class for NCrystal interface which must be declared exactly as
+//  it is in NCrystal itself.
+
+class VirtAPI_Type1_v1 {
+public:
+  // Note: neutron must be an array of length 4 with values {ekin,ux,uy,uz}
+  class ScatterProcess;
+  virtual const ScatterProcess* createScatter(const char* cfgstr) const = 0;
+  virtual const ScatterProcess* cloneScatter(const ScatterProcess*) const = 0;
+  virtual void deallocateScatter(const ScatterProcess*) const = 0;
+  virtual double crossSectionUncached(
+    const ScatterProcess&, const double* neutron) const = 0;
+  virtual void sampleScatterUncached(const ScatterProcess&,
+    std::function<double()>& rng, double* neutron) const = 0;
+  // Plumbing:
+  static constexpr unsigned interface_id = 1001;
+  virtual ~VirtAPI_Type1_v1() = default;
+  VirtAPI_Type1_v1() = default;
+  VirtAPI_Type1_v1(const VirtAPI_Type1_v1&) = delete;
+  VirtAPI_Type1_v1& operator=(const VirtAPI_Type1_v1&) = delete;
+  VirtAPI_Type1_v1(VirtAPI_Type1_v1&&) = delete;
+  VirtAPI_Type1_v1& operator=(VirtAPI_Type1_v1&&) = delete;
+};
+
+} // namespace NCrystalVirtualAPI
+
+namespace openmc {
+
+using NCrystalAPI = NCrystalVirtualAPI::VirtAPI_Type1_v1;
+
+//! Function which locates and loads NCrystal at runtime using the virtual API
+std::shared_ptr<const NCrystalAPI> load_ncrystal_api();
+
+//! Class encapsulating exactly the parts of NCrystal needed by OpenMC
+
+class NCrystalScatProc final {
+public:
+  //! Empty constructor which does not load NCrystal
+  NCrystalScatProc() {}
+
+  //! Load NCrystal and instantiate a scattering process
+  //! \param cfgstr NCrystal cfg-string defining the material.
+  NCrystalScatProc(const char* cfgstr)
+    : api_(load_ncrystal_api()), p_(api_->createScatter(cfgstr))
+  {}
+
+  // Note: Neutron state array is {ekin,ux,uy,uz}
+
+  //! Returns total scattering cross section in units of barns per atom.
+  //! \param neutron_state array {ekin,ux,uy,uz} with ekin (eV) and direction.
+  double cross_section(const double* neutron_state) const
+  {
+    return api_->crossSectionUncached(*p_, neutron_state);
+  }
+
+  //! Returns total scattering cross section in units of barns per atom.
+  //! \param rng function returning random numbers in the unit interval
+  //! \param neutron_state array {ekin,ux,uy,uz} with ekin (eV) and direction.
+  void scatter(std::function<double()>& rng, double* neutron_state) const
+  {
+    api_->sampleScatterUncached(*p_, rng, neutron_state);
+  }
+
+  //! Clones the object which is otherwise move-only
+  NCrystalScatProc clone() const
+  {
+    NCrystalScatProc c;
+    if (p_) {
+      c.api_ = api_;
+      c.p_ = api_->cloneScatter(p_);
+    }
+    return c;
+  }
+
+  // Plumbing (move-only semantics, but supports explicit clone):
+  NCrystalScatProc(const NCrystalScatProc&) = delete;
+  NCrystalScatProc& operator=(const NCrystalScatProc&) = delete;
+
+  NCrystalScatProc(NCrystalScatProc&& o) : api_(std::move(o.api_)), p_(nullptr)
+  {
+    std::swap(p_, o.p_);
+  }
+
+  NCrystalScatProc& operator=(NCrystalScatProc&& o)
+  {
+    if (p_) {
+      api_->deallocateScatter(p_);
+      p_ = nullptr;
+    }
+    std::swap(api_, o.api_);
+    std::swap(p_, o.p_);
+    return *this;
+  }
+
+  ~NCrystalScatProc()
+  {
+    if (p_)
+      api_->deallocateScatter(p_);
+  }
+
+private:
+  std::shared_ptr<const NCrystalAPI> api_;
+  const NCrystalAPI::ScatterProcess* p_ = nullptr;
+};
+
+} // namespace openmc
+
+#endif

openmc/lib/__init__.py

@@ -40,9 +40,6 @@ else:
 def _dagmc_enabled():
     return c_bool.in_dll(_dll, "DAGMC_ENABLED").value
 
-def _ncrystal_enabled():
-    return c_bool.in_dll(_dll, "NCRYSTAL_ENABLED").value
-
 def _coord_levels():
     return c_int.in_dll(_dll, "n_coord_levels").value
 

openmc/material.py

@@ -429,7 +429,11 @@ class Material(IDManagerMixin):
 
         """
 
+        try:
             import NCrystal
+        except ModuleNotFoundError as e:
+            raise RuntimeError('The .from_ncrystal method requires'
+                               ' NCrystal to be installed.') from e
         nc_mat = NCrystal.createInfo(cfg)
 
         def openmc_natabund(Z):

src/material.cpp

@@ -368,7 +368,7 @@ Material& Material::clone()
   mat->name_ = name_;
   mat->nuclide_ = nuclide_;
   mat->element_ = element_;
-  mat->ncrystal_mat_ = ncrystal_mat_;
+  mat->ncrystal_mat_ = ncrystal_mat_.clone();
   mat->atom_density_ = atom_density_;
   mat->density_ = density_;
   mat->density_gpcc_ = density_gpcc_;

src/ncrystal_interface.cpp

@@ -7,89 +7,34 @@
 namespace openmc {
 
 //==============================================================================
-// Constants
+// NCrystalMat implementation
 //==============================================================================
 
-#ifdef NCRYSTAL
+NCrystalMat::NCrystalMat(const std::string& cfg) : cfg_(cfg), proc_(cfg.c_str())
-const bool NCRYSTAL_ENABLED = true;
+{}
-#else
-const bool NCRYSTAL_ENABLED = false;
-#endif
-
-//==============================================================================
-// NCrystal wrapper class for the OpenMC random number generator
-//==============================================================================
-
-#ifdef NCRYSTAL
-class NCrystalRNGWrapper : public NCrystal::RNGStream {
-public:
-  constexpr NCrystalRNGWrapper(uint64_t* seed) noexcept : openmc_seed_(seed) {}
-
-protected:
-  double actualGenerate() override
-  {
-    return std::max<double>(
-      std::numeric_limits<double>::min(), prn(openmc_seed_));
-  }
-
-private:
-  uint64_t* openmc_seed_;
-};
-#endif
-
-//==============================================================================
-// NCrystal implementation
-//==============================================================================
-
-NCrystalMat::NCrystalMat(const std::string& cfg)
-{
-#ifdef NCRYSTAL
-  cfg_ = cfg;
-  ptr_ = NCrystal::FactImpl::createScatter(cfg);
-#else
-  fatal_error("Your build of OpenMC does not support NCrystal materials.");
-#endif
-}
-
-#ifdef NCRYSTAL
-std::string NCrystalMat::cfg() const
-{
-  return cfg_;
-}
 
 double NCrystalMat::xs(const Particle& p) const
 {
   // Calculate scattering XS per atom with NCrystal, only once per material
-  NCrystal::CachePtr dummy_cache;
+  double neutron_state[4] = {p.E(), p.u().x, p.u().y, p.u().z};
-  auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+  return proc_.cross_section(neutron_state);
-  return ptr_->crossSection(dummy_cache, nc_energy, {p.u().x, p.u().y, p.u().z})
-    .get();
 }
 
 void NCrystalMat::scatter(Particle& p) const
 {
-  NCrystalRNGWrapper rng(p.current_seed()); // Initialize RNG
+  // Scatter with NCrystal, using the OpenMC RNG stream:
-  // create a cache pointer for multi thread physics
+  uint64_t* seed = p.current_seed();
-  NCrystal::CachePtr dummy_cache;
+  std::function<double()> rng = [&seed]() { return prn(seed); };
-  auto nc_energy = NCrystal::NeutronEnergy {p.E()};
+  double neutron_state[4] = {p.E(), p.u().x, p.u().y, p.u().z};
-  auto outcome = ptr_->sampleScatter(
+  proc_.scatter(rng, neutron_state);
-    dummy_cache, rng, nc_energy, {p.u().x, p.u().y, p.u().z});
-
   // Modify attributes of particle
-  p.E() = outcome.ekin.get();
+  p.E() = neutron_state[0];
   Direction u_old {p.u()};
-  p.u() =
+  p.u() = Direction(neutron_state[1], neutron_state[2], neutron_state[3]);
-    Direction(outcome.direction[0], outcome.direction[1], outcome.direction[2]);
   p.mu() = u_old.dot(p.u());
   p.event_mt() = ELASTIC;
 }
 
-NCrystalMat::operator bool() const
-{
-  return ptr_.get();
-}
-#endif
-
 //==============================================================================
 // Functions
 //==============================================================================

src/ncrystal_load.cpp

@@ -0,0 +1,151 @@
+#include "openmc/ncrystal_load.h"
+
+#include <cctype>  // for isspace
+#include <cstdlib> // for strtoul
+#include <memory>  // for shared_ptr
+#include <mutex>   // for mutex, lock_guard
+#include <string>
+
+#include <fmt/core.h>
+#include <stdio.h> // for popen, pclose
+
+#include "openmc/error.h"
+
+#ifdef _WIN32
+#ifndef WIN32_LEAN_AND_MEAN
+#define WIN32_LEAN_AND_MEAN
+#endif
+#include <windows.h> // for LoadLibrary, GetProcAddress
+#else
+#include <dlfcn.h> // for dlopen, dlsym, dlerror
+#endif
+
+namespace openmc {
+namespace {
+
+struct NCrystalConfig {
+  std::string shlibpath;
+  unsigned long intversion = 0;
+  std::string symbol_namespace;
+};
+
+NCrystalConfig query_ncrystal_config()
+{
+#ifdef _WIN32
+  FILE* pipe = _popen("ncrystal-config --show "
+                      "intversion shlibpath namespace",
+    "r");
+#else
+  FILE* pipe = popen("ncrystal-config --show "
+                     "intversion shlibpath namespace 2>/dev/null",
+    "r");
+#endif
+  if (!pipe)
+    return {}; // failure
+  auto readLine = [pipe](std::string& tgt) -> bool {
+    // Read line and discard trailing whitespace (including newline chars).
+    char buffer[4096];
+    if (fgets(buffer, sizeof(buffer), pipe) == NULL)
+      return false;
+    tgt = buffer;
+    while (!tgt.empty() && std::isspace(tgt.back()))
+      tgt.pop_back();
+    return true;
+  };
+  auto parseIntVersion = [](const std::string& s) {
+    char* str_end = nullptr;
+    unsigned long v = std::strtoul(s.c_str(), &str_end, 10);
+    return (v >= 2002000 && v < 999999999 && str_end == s.c_str() + s.size())
+             ? v
+             : 0;
+  };
+
+  NCrystalConfig res;
+  if (!readLine(res.shlibpath) ||
+      !(res.intversion = parseIntVersion(res.shlibpath)) ||
+      !readLine(res.shlibpath) || res.shlibpath.empty() ||
+      !readLine(res.symbol_namespace)) {
+    res.intversion = 0; // failure
+  }
+
+#ifdef _WIN32
+  auto returnCode = _pclose(pipe);
+#else
+  auto returnCode = pclose(pipe);
+#endif
+  if (returnCode == 0 && res.intversion >= 2002000)
+    return res;
+  return {}; // failure
+}
+
+struct NCrystalAPIDB {
+  std::mutex mtx;
+  std::shared_ptr<const NCrystalAPI> api;
+  using FctSignature = void* (*)(int);
+  FctSignature ncrystal_access_virtapi_fct = nullptr;
+};
+
+void* load_virtapi_raw(unsigned interface_id, NCrystalAPIDB& db)
+{
+  if (!db.ncrystal_access_virtapi_fct) {
+    auto cfg = query_ncrystal_config();
+    if (!(cfg.intversion >= 4001000)) {
+      // This is the most likely error message people will see:
+      fatal_error("Could not locate a functioning and recent enough"
+                  " NCrystal installation (required since geometry"
+                  " contains NCrystal materials).");
+    }
+#ifdef _WIN32
+    auto handle = LoadLibrary(cfg.shlibpath.c_str());
+#else
+    dlerror(); // clear previous errors
+    void* handle = dlopen(cfg.shlibpath.c_str(), RTLD_LOCAL | RTLD_LAZY);
+#endif
+    if (!handle)
+      fatal_error("Loading of the NCrystal library failed");
+
+    std::string symbol =
+      fmt::format("ncrystal{}_access_virtual_api", cfg.symbol_namespace);
+
+#ifdef _WIN32
+    void* addr = (void*)(intptr_t)GetProcAddress(handle, symbol.c_str());
+    if (!addr)
+      fatal_error("GetProcAddress("
+                  "ncrystal_access_virtual_api) failed");
+#else
+    dlerror(); // clear previous errors
+    void* addr = dlsym(handle, symbol.c_str());
+    if (!addr)
+      fatal_error("dlsym(ncrystal_access_virtual_api) failed");
+#endif
+    db.ncrystal_access_virtapi_fct =
+      reinterpret_cast<NCrystalAPIDB::FctSignature>(addr);
+  }
+
+  void* result = (*db.ncrystal_access_virtapi_fct)(interface_id);
+  if (!result)
+    fatal_error("NCrystal installation does not support required interface.");
+
+  return result;
+}
+
+NCrystalAPIDB& get_ncrystal_api_db()
+{
+  static NCrystalAPIDB db;
+  return db;
+}
+} // namespace
+
+std::shared_ptr<const NCrystalAPI> load_ncrystal_api()
+{
+  auto& db = get_ncrystal_api_db();
+  std::lock_guard<std::mutex> lock(db.mtx);
+  if (!db.api) {
+    void* raw_api = load_virtapi_raw(NCrystalAPI::interface_id, db);
+    if (!raw_api)
+      fatal_error("Problems loading NCrystal.");
+    db.api = *reinterpret_cast<std::shared_ptr<const NCrystalAPI>*>(raw_api);
+  }
+  return db.api;
+}
+} // namespace openmc

src/output.cpp

@@ -314,7 +314,6 @@ void print_build_info()
   std::string profiling(n);
   std::string coverage(n);
   std::string mcpl(n);
-  std::string ncrystal(n);
   std::string uwuw(n);
 
 #ifdef PHDF5
@@ -332,9 +331,6 @@ void print_build_info()
 #ifdef OPENMC_MCPL
   mcpl = y;
 #endif
-#ifdef NCRYSTAL
-  ncrystal = y;
-#endif
 #ifdef USE_LIBPNG
   png = y;
 #endif
@@ -362,7 +358,6 @@ void print_build_info()
     fmt::print("DAGMC support:         {}\n", dagmc);
     fmt::print("libMesh support:       {}\n", libmesh);
     fmt::print("MCPL support:          {}\n", mcpl);
-    fmt::print("NCrystal support:      {}\n", ncrystal);
     fmt::print("Coverage testing:      {}\n", coverage);
     fmt::print("Profiling flags:       {}\n", profiling);
     fmt::print("UWUW support:          {}\n", uwuw);

src/source.cpp

@@ -4,7 +4,7 @@
 #define HAS_DYNAMIC_LINKING
 #endif
 
-#include <algorithm> // for move
+#include <utility> // for move
 
 #ifdef HAS_DYNAMIC_LINKING
 #include <dlfcn.h> // for dlopen, dlsym, dlclose, dlerror

tests/regression_tests/ncrystal/test.py

@@ -6,12 +6,13 @@ import numpy as np
 import openmc
 import openmc.lib
 import pytest
+import shutil
 
 from tests.testing_harness import PyAPITestHarness
 
 pytestmark = pytest.mark.skipif(
-    not openmc.lib._ncrystal_enabled(),
+    not shutil.which('ncrystal-config'),
-    reason="NCrystal materials are not enabled.")
+    reason="NCrystal is not installed.")
 
 
 def pencil_beam_model(cfg, E0, N):

tools/ci/gha-install.py

@@ -3,7 +3,7 @@ import shutil
 import subprocess
 
 
-def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrystal=False):
+def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False):
     # Create build directory and change to it
     shutil.rmtree('build', ignore_errors=True)
     os.mkdir('build')
@@ -40,9 +40,6 @@ def install(omp=False, mpi=False, phdf5=False, dagmc=False, libmesh=False, ncrys
         libmesh_path = os.environ.get('HOME') + '/LIBMESH'
         cmake_cmd.append('-DCMAKE_PREFIX_PATH=' + libmesh_path)
 
-    if ncrystal:
-        cmake_cmd.append('-DOPENMC_USE_NCRYSTAL=ON')
-
     # Build in coverage mode for coverage testing
     cmake_cmd.append('-DOPENMC_ENABLE_COVERAGE=on')
 
@@ -59,11 +56,10 @@ def main():
     mpi = (os.environ.get('MPI') == 'y')
     phdf5 = (os.environ.get('PHDF5') == 'y')
     dagmc = (os.environ.get('DAGMC') == 'y')
-    ncrystal = (os.environ.get('NCRYSTAL') == 'y')
     libmesh = (os.environ.get('LIBMESH') == 'y')
 
     # Build and install
-    install(omp, mpi, phdf5, dagmc, libmesh, ncrystal)
+    install(omp, mpi, phdf5, dagmc, libmesh)
 
 if __name__ == '__main__':
     main()

tools/ci/gha-install.sh

@@ -14,12 +14,9 @@ if [[ $DAGMC = 'y' ]]; then
     ./tools/ci/gha-install-dagmc.sh
 fi
 
-# Install NCrystal if needed
+# Install NCrystal and verify installation
-if [[ $NCRYSTAL = 'y' ]]; then
+pip install 'ncrystal>=4.1.0'
-    pip install 'ncrystal>=4.0.0'
+nctool --test
-    #Basic quick verification:
-    nctool --test
-fi
 
 # Install vectfit for WMP generation if needed
 if [[ $VECTFIT = 'y' ]]; then

tools/ci/gha-script.sh

@@ -14,10 +14,5 @@ if [[ $EVENT == 'y' ]]; then
   args="${args} --event "
 fi
 
-# Check NCrystal installation
-if [[ $NCRYSTAL = 'y' ]]; then
-  nctool --test
-fi
-
 # Run regression and unit tests
 pytest --cov=openmc -v $args tests