eonc::LammpsLoader Class Reference

#include <LammpsLoader.h>

Public Types
using	open_no_mpi_fn = void *(*)(int, char **, void **)
using	close_fn = void (*)(void *)
using	command_fn = char *(*)(void *, const char *)
using	file_fn = void (*)(void *, const char *)
using	scatter_atoms_fn = void (*)(void *, const char *, int, int, void *)
using	extract_var_fn = void *(*)(void *, const char *, const char *)

Public Member Functions
bool	is_loaded () const noexcept
	True if liblammps was successfully dlopened and the C ABI resolved.
bool	available () const
	Filesystem probe: a candidate liblammps file is visible without dlopen, so LAMMPS static initializers (the banner) do not run.
void	require_loaded ()
	Load on first use, then throw if liblammps is not available.
	LammpsLoader (const LammpsLoader &)=delete
LammpsLoader &	operator= (const LammpsLoader &)=delete

Static Public Member Functions
static LammpsLoader &	instance ()
	Thread-safe singleton accessor (Meyer's pattern). Does not dlopen.

Public Attributes
open_no_mpi_fn	open_no_mpi {nullptr}
close_fn	close {nullptr}
command_fn	command {nullptr}
file_fn	file {nullptr}
scatter_atoms_fn	scatter_atoms {nullptr}
extract_var_fn	extract_variable {nullptr}

Private Member Functions
	LammpsLoader ()=default
	~LammpsLoader ()
void	ensure_loaded ()
template<typename Fn>
Fn	load_sym (const char *name)
	Try to load a symbol; returns nullptr on failure.

Private Attributes
bool	m_loaded {false}
bool	m_tried {false}
dynlib::Handle	m_handle {}

Detailed Description

Definition at line 34 of file LammpsLoader.h.

Member Typedef Documentation

close_fn

using eonc::LammpsLoader::close_fn = void (*)(void *)

Definition at line 38 of file LammpsLoader.h.

command_fn

using eonc::LammpsLoader::command_fn = char *(*)(void *, const char *)

Definition at line 39 of file LammpsLoader.h.

extract_var_fn

using eonc::LammpsLoader::extract_var_fn = void *(*)(void *, const char *, const char *)

Definition at line 42 of file LammpsLoader.h.

file_fn

using eonc::LammpsLoader::file_fn = void (*)(void *, const char *)

Definition at line 40 of file LammpsLoader.h.

open_no_mpi_fn

using eonc::LammpsLoader::open_no_mpi_fn = void *(*)(int, char **, void **)

Definition at line 37 of file LammpsLoader.h.

scatter_atoms_fn

using eonc::LammpsLoader::scatter_atoms_fn = void (*)(void *, const char *, int, int, void *)

Definition at line 41 of file LammpsLoader.h.

Constructor & Destructor Documentation

LammpsLoader() [1/2]

eonc::LammpsLoader::LammpsLoader ( const LammpsLoader & )

delete

LammpsLoader() [2/2]

eonc::LammpsLoader::LammpsLoader ( )

privatedefault

~LammpsLoader()

eonc::LammpsLoader::~LammpsLoader ( )

private

Definition at line 118 of file LammpsLoader.cpp.

{ dynlib::close(m_handle); }

Member Function Documentation

available()

bool eonc::LammpsLoader::available ( ) const

nodiscard

Filesystem probe: a candidate liblammps file is visible without dlopen, so LAMMPS static initializers (the banner) do not run.

Definition at line 120 of file LammpsLoader.cpp.

                                   {
  return lib_file_visible(lammps_lib_names());
}

ensure_loaded()

void eonc::LammpsLoader::ensure_loaded ( )

private

Definition at line 84 of file LammpsLoader.cpp.

                                 {
  if (m_tried)
    return;
  m_tried = true;
 
  m_handle = dynlib::openFirst(lammps_lib_names());
  if (!m_handle) {
    return;
  }
 
  open_no_mpi = dynlib::loadSym<open_no_mpi_fn>(m_handle, "lammps_open_no_mpi");
  close = dynlib::loadSym<close_fn>(m_handle, "lammps_close");
  command = dynlib::loadSym<command_fn>(m_handle, "lammps_command");
  file = dynlib::loadSym<file_fn>(m_handle, "lammps_file");
  scatter_atoms =
      dynlib::loadSym<scatter_atoms_fn>(m_handle, "lammps_scatter_atoms");
  extract_variable =
      dynlib::loadSym<extract_var_fn>(m_handle, "lammps_extract_variable");
 
#ifdef EONMPI
  open_mpi = dynlib::loadSym<open_mpi_fn>(m_handle, "lammps_open");
#endif
 
  if (!open_no_mpi || !close || !command || !file || !scatter_atoms ||
      !extract_variable) {
    std::cerr << "[LAMMPS] Library loaded but missing required symbols\n";
    dynlib::close(m_handle);
    m_handle = {};
    return;
  }
 
  m_loaded = true;
}

instance()

LammpsLoader & eonc::LammpsLoader::instance ( )

static

Thread-safe singleton accessor (Meyer's pattern). Does not dlopen.

Definition at line 79 of file LammpsLoader.cpp.

                                     {
  static LammpsLoader loader;
  return loader;
}

is_loaded()

bool eonc::LammpsLoader::is_loaded ( ) const

inlinenodiscardnoexcept

True if liblammps was successfully dlopened and the C ABI resolved.

Definition at line 62 of file LammpsLoader.h.

{ return m_loaded; }

load_sym()

template<typename Fn>

Fn eonc::LammpsLoader::load_sym ( const char * name )

inlineprivate

Try to load a symbol; returns nullptr on failure.

Definition at line 85 of file LammpsLoader.h.

                                                       {
    return reinterpret_cast<Fn>(dynlib::sym(m_handle, name));
  }

operator=()

LammpsLoader & eonc::LammpsLoader::operator= ( const LammpsLoader & )

delete

require_loaded()

void eonc::LammpsLoader::require_loaded

(

)

Load on first use, then throw if liblammps is not available.

Definition at line 124 of file LammpsLoader.cpp.

                                  {
  ensure_loaded();
  if (!m_loaded) {
    throw std::runtime_error(
        "LAMMPS potential requested but liblammps not found.\n"
        "Install via: conda install -c conda-forge lammps\n"
        "Or ensure liblammps is in your library search path "
        "(LD_LIBRARY_PATH / DYLD_LIBRARY_PATH / PATH).");
  }
}

Member Data Documentation

close

close_fn eonc::LammpsLoader::close {nullptr}

Definition at line 52 of file LammpsLoader.h.

{nullptr};

command

command_fn eonc::LammpsLoader::command {nullptr}

Definition at line 53 of file LammpsLoader.h.

{nullptr};

extract_variable

extract_var_fn eonc::LammpsLoader::extract_variable {nullptr}

Definition at line 56 of file LammpsLoader.h.

{nullptr};

file

file_fn eonc::LammpsLoader::file {nullptr}

Definition at line 54 of file LammpsLoader.h.

{nullptr};

m_handle

dynlib::Handle eonc::LammpsLoader::m_handle {}

private

Definition at line 82 of file LammpsLoader.h.

{};

m_loaded

bool eonc::LammpsLoader::m_loaded {false}

private

Definition at line 80 of file LammpsLoader.h.

{false};

m_tried

bool eonc::LammpsLoader::m_tried {false}

private

Definition at line 81 of file LammpsLoader.h.

{false};

open_no_mpi

open_no_mpi_fn eonc::LammpsLoader::open_no_mpi {nullptr}

Definition at line 51 of file LammpsLoader.h.

{nullptr};

scatter_atoms

scatter_atoms_fn eonc::LammpsLoader::scatter_atoms {nullptr}

Definition at line 55 of file LammpsLoader.h.

{nullptr};

---

The documentation for this class was generated from the following files:

• /home/runner/work/eOn/eOn/include/eon/potentials/LAMMPS/LammpsLoader.h
• /home/runner/work/eOn/eOn/client/potentials/LAMMPS/LammpsLoader.cpp