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

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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).
This commit is contained in:
Axel Kohlmeyer
2018-06-21 19:07:16 -04:00
parent 9f3cb83fb3
commit e8e1349da4
4 changed files with 20 additions and 84 deletions
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2
src/Makefile
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@ -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

19
src/info.cpp
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@ -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;

81
src/lammps.cpp
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@ -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;

2
src/lammps.h
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@ -59,6 +59,8 @@ class LAMMPS {
class CiteMe *citeme; // citation info
static const char * installed_packages[];
LAMMPS(int, char **, MPI_Comm);
~LAMMPS();
void create();