diff --git a/src/main.cpp b/src/main.cpp index b9886c6c0d..793c4d19d2 100644 --- a/src/main.cpp +++ b/src/main.cpp @@ -14,7 +14,6 @@ #include "lammps.h" #include "input.h" -#include "mdi_interface.h" #include #include @@ -27,6 +26,41 @@ #include "exceptions.h" #endif +// import real or dummy calls to MolSSI Driver Interface library +#if defined(LMP_USER_MDI) + +// true interface to MDI +#include + +#else + +// dummy interface to MDI +// needed for compiling when MDI is not installed + +typedef int MDI_Comm; +static int MDI_Init(int *argc, char ***argv) +{ + return 0; +} +static int MDI_Initialized(int *flag) +{ + return 0; +} +static int MDI_MPI_get_world_comm(void *world_comm) +{ + return 0; +} +static int MDI_Plugin_get_argc(int *argc) +{ + return 0; +} +static int MDI_Plugin_get_argv(char ***argv) +{ + return 0; +} + +#endif + using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- @@ -50,9 +84,9 @@ int main(int argc, char **argv) if (mdi_flag) if (MDI_MPI_get_world_comm(&lammps_comm)) MPI_Abort(MPI_COMM_WORLD, 1); - // enable trapping selected floating point exceptions. - // this uses GNU extensions and is only tested on Linux - // therefore we make it depend on -D_GNU_SOURCE, too. + // enable trapping selected floating point exceptions. + // this uses GNU extensions and is only tested on Linux + // therefore we make it depend on -D_GNU_SOURCE, too. #if defined(LAMMPS_TRAP_FPE) && defined(_GNU_SOURCE) fesetenv(FE_NOMASK_ENV); diff --git a/src/mdi_interface.h b/src/mdi_interface.h deleted file mode 100644 index 9c90663696..0000000000 --- a/src/mdi_interface.h +++ /dev/null @@ -1,37 +0,0 @@ -/* -*- c++ -*- ---------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifndef LMP_MDI_INTERFACE_H -#define LMP_MDI_INTERFACE_H - -#if defined(LMP_USER_MDI) - -// true interface to MDI -// used when MDI is installed - -#include "mdi.h" - -#else - -// dummy interface to MDI -// needed for compiling when MDI is not installed - - typedef int MDI_Comm; - inline int MDI_Init(int* argc, char ***argv) {return 0;}; - inline int MDI_Initialized(int* flag) {return 0;}; - inline int MDI_MPI_get_world_comm(void* world_comm) {return 0;}; - inline int MDI_Plugin_get_argc(int* argc) {return 0;}; - inline int MDI_Plugin_get_argv(char*** argv) {return 0;}; - -#endif -#endif