Commit e8e1349d authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

make the list of installed packages a static const class member of the LAMMPS class 

through this change, the list of packages becomes accessible for the
library interface and the python wrapper, e.g. to check whether a
prerequisite packages is installed (simpler/faster for quick highlevel
check than having to try instantiating a specific style).
parent 9f3cb83f

src/Makefile

+1 −1
Original line number Diff line number Diff line
@@ -153,7 +153,7 @@ help: 


lmpinstalledpkgs.h: $(SRC) $(INC)

	@echo 'Gathering installed package information (may take a little while)'

	@echo 'static const char * lammps_installed_packages[] = {' > lmpinstalledpkgs.tmp

	@echo 'const char * LAMMPS_NS::LAMMPS::installed_packages[] = {' > lmpinstalledpkgs.tmp

	@for p in $(PACKAGEUC) $(PACKUSERUC); do info=$$($(SHELL) Package.sh $$p installed); \

             [ -n "$$info" ] && echo "\"$$info\"" | sed -e 's/".*package \(.*\)"/"\1",/' >> lmpinstalledpkgs.tmp || :; done

	@echo ' NULL };' >> lmpinstalledpkgs.tmp

src/info.cpp

+16 −3
Original line number Diff line number Diff line
@@ -259,15 +259,28 @@ void Info::command(int narg, char **arg) 
  fprintf(out,"Printed on %s\n",ctime(&now));



  if (flags & CONFIG) {



    fprintf(out,"\nLAMMPS version: %s / %s\n",

    fprintf(out,"\nLAMMPS version: %s / %s\n\n",

            universe->version, universe->num_ver);

    lmp->print_config(out);

    fprintf(out,"sizeof(smallint): %3d-bit\n",(int)sizeof(smallint)*8);

    fprintf(out,"sizeof(imageint): %3d-bit\n",(int)sizeof(imageint)*8);

    fprintf(out,"sizeof(tagint):   %3d-bit\n",(int)sizeof(tagint)*8);

    fprintf(out,"sizeof(bigint):   %3d-bit\n",(int)sizeof(bigint)*8);



    const char *pkg;

    int ncword, ncline = 0;



    fputs("\nInstalled packages:\n\n",out);

    for (int i = 0; NULL != (pkg = lmp->installed_packages[i]); ++i) {

      ncword = strlen(pkg);

      if (ncline + ncword > 78) {

        ncline = 0;

        fputs("\n",out);

      }

      fprintf(out,"%s ",pkg);

      ncline += ncword + 1;

    }

    fputs("\n",out);



#if defined(_WIN32)

    DWORD fullversion,majorv,minorv,buildv=0;

src/lammps.cpp

+1 −80
Original line number Diff line number Diff line
@@ -978,84 +978,6 @@ void print_style(FILE *fp, const char *str, int &pos) 
  }

}



#define lmp_str(s) #s

#define lmp_xstr(s) lmp_str(s)



static const char lammps_config_options[]

= "LAMMPS compile time settings:\n\n"

  "MPI library setting         : "

#if defined(MPI_STUBS)

  "Serial version using STUBS"

#elif defined(MPICH_VERSION)

  "Parallel version using MPICH " MPICH_VERSION

#elif defined(OPEN_MPI)

  "Parallel version using OpenMPI "

  lmp_xstr(OMPI_MAJOR_VERSION) "."

  lmp_xstr(OMPI_MINOR_VERSION) "."

  lmp_xstr(OMPI_RELEASE_VERSION)

#else

 "Parallel version using unknown MPI library"

#endif

  "\nInteger sizes setting       : "

#if defined(LAMMPS_SMALLSMALL)

  "-DLAMMPS_SMALLSMALL"

#elif defined(LAMMPS_SMALLBIG)

  "-DLAMMPS_SMALLBIG"

#elif defined(LAMMPS_BIGBIG)

  "-DLAMMPS_BIGBIG"

#else

  "(unkown)"

#endif

  "\nExternal commands support   :"

#if defined(LAMMPS_GZIP)

  " -DLAMMPS_GZIP"

#endif

#if defined(LAMMPS_FFMPEG)

  " -DLAMMPS_FFMPEG"

#endif

  "\nImage library support       :"

#if defined(LAMMPS_JPEG)

  " -DLAMMPS_JPEG"

#endif

#if defined(LAMMPS_PNG)

  " -DLAMMPS_PNG"

#endif

  "\nFFT library support         :"

#if defined(FFT_SINGLE)

  " -DFFT_SINGLE"

#endif

#if defined(FFT_FFTW) || defined(FFT_FFTW3)

  " -DFFT_FFTW3"

#elif defined(FFT_FFTW2)

  " -DFFT_FFTW2"

#elif defined(FFT_MKL)

  " -DFFT_MKL"

#else

  " -DFFT_KISSFFT"

#endif

  "\n3d-FFT data packing         :"

#if defined(PACK_POINTER)

  " -DPACK_POINTER"

#elif defined(PACK_MEMCPY)

  " -DPACK_MEMCPY"

#else

  " -DPACK_ARRAY"

#endif

  "\nMemory alignment            :"

#if defined(LAMMPS_MEMALIGN)

  " -DLAMMPS_MEMALIGN=" lmp_xstr(LAMMPS_MEMALIGN)

#else

  " (default)"

#endif



  "\nException support           :"

#if defined(LAMMPS_EXCEPTIONS)

  " -DLAMMPS_EXCEPTIONS\n"

#else

  " (not enabled)\n"

#endif

  "\n";



#include "lmpinstalledpkgs.h"



void LAMMPS::print_config(FILE *fp)
@@ -1063,9 +985,8 @@ void LAMMPS::print_config(FILE *fp) 
  const char *pkg;

  int ncword, ncline = 0;



  fputs(lammps_config_options,fp);

  fputs("Installed packages:\n\n",fp);

  for (int i = 0; NULL != (pkg = lammps_installed_packages[i]); ++i) {

  for (int i = 0; NULL != (pkg = installed_packages[i]); ++i) {

    ncword = strlen(pkg);

    if (ncline + ncword > 78) {

      ncline = 0;

src/lammps.h

+2 −0
Original line number Diff line number Diff line
@@ -59,6 +59,8 @@ class LAMMPS { 


  class CiteMe *citeme;          // citation info



  static const char * installed_packages[];



  LAMMPS(int, char **, MPI_Comm);

  ~LAMMPS();

  void create();

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