Changeset da83f8
- Timestamp:
- Apr 24, 2008, 1:52:02 PM (18 years ago)
- Children:
- bd7b85
- Parents:
- 054af7
- Files:
-
- 13 edited
-
Makefile.am (modified) (2 diffs)
-
molecuilder/configure.ac (modified) (3 diffs)
-
molecuilder/src/Makefile.am (modified) (1 diff)
-
molecuilder/src/helpers.cpp (modified) (1 diff)
-
molecuilder/src/helpers.hpp (modified) (1 diff)
-
molecuilder/src/molecules.cpp (modified) (1 diff)
-
pcp/Makefile.am (modified) (2 diffs)
-
pcp/configure.ac (modified) (1 diff)
-
pcp/src/Makefile.am (modified) (1 diff)
-
pcp/src/Makefile.in (modified) (3 diffs)
-
pcp/src/helpers.h (modified) (1 diff)
-
util/Makefile.am (modified) (1 diff)
-
util/configure.ac (modified) (1 diff)
Legend:
- Unmodified
- Added
- Removed
-
Makefile.am
r054af7 rda83f8 1 1 #ACLOCAL_AMFLAGS = -I m4 2 2 SUBDIRS = pcp util molecuilder 3 #<F2>util/molecuilder4 3 DIST_SUBDIRS = ${SUBDIRS} 5 #defaults/pseudopot6 4 7 5 #include aminclude.am … … 9 7 pcpdir = ${bindir} 10 8 11 EXTRA_DIST = util/suffix autogen.sh configs.tar.gz pseudopots.tar.gzutil/visual.cfg util/visual.net9 EXTRA_DIST = util/suffix autogen.sh pseudopot util/visual.cfg util/visual.net 12 10 13 11 configs.tar.gz: -
molecuilder/configure.ac
r054af7 rda83f8 16 16 17 17 18 AC_FUNC_MALLOC19 AC_FUNC_REALLOC20 AC_CHECK_FUNCS([floor pow sqrt strchr])21 22 18 # Checks for libraries. 23 19 AC_CHECK_LIB(m, sqrt, ,AC_MSG_ERROR([compatible libc math library not found])) … … 27 23 AC_CHECK_HEADERS([sys/time.h]) 28 24 AC_HEADER_STDBOOL 25 26 AC_FUNC_MALLOC 27 AC_FUNC_REALLOC 28 AC_CHECK_FUNCS([floor pow sqrt strchr]) 29 29 30 30 # Checks for typedefs, structures, and compiler characteristics. … … 41 41 42 42 # debugging info 43 AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information (default is no)]), 44 [enable_debug=$enableval], [enable_debug=maybe]) 45 if test x"$enable_debug" = xyes; then 43 AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information, argument is yes or debugging level (default is no).]), 44 [enable_debug=$enableval], [enable_debug=no]) 45 if ! test x"$enable_debug" = xno; then 46 if test x"${enable_debug}" = xyes; then 47 CFLAGS="-g3" 48 CXXFLAGS="-g3" 49 else 50 CFLAGS="-g${enable_debug}" 51 CXXFLAGS="-g${enable_debug}" 52 fi 46 53 AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"]) 47 54 AC_SUBST(HAVE_DEBUG) 55 fi 56 57 # optimization level 58 AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or debugging level. (default is 2)]), 59 [enable_optimization=$enableval], [enable_optimization=yes]) 60 if test ! x"$enable_optimization" = xno; then 61 if test x"$enable_debug" = xno; then 62 if test x"${enable_optimization}" = xyes; then 63 CFLAGS="-O2" 64 CXXFLAGS="-O2" 65 else 66 CFLAGS="-O${enable_optimization}" 67 CXXFLAGS="-O${enable_optimization}" 68 fi 69 else 70 AC_MSG_WARN(["Already specified --enable-debug!"]) 71 fi 48 72 fi 49 73 -
molecuilder/src/Makefile.am
r054af7 rda83f8 8 8 joiner_SOURCES = joiner.cpp parser.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp 9 9 analyzer_SOURCES = analyzer.cpp parser.cpp datacreator.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp datacreator.hpp 10 #molecuilder_CXXFLAGS = -cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=0 11 molecuilder_CXXFLAGS = -g3 -march=nocona -Wall -DBIGENDIAN=0 12 joiner_CXXFLAGS = -g3 -march=nocona -Wall -DBIGENDIAN=0 13 analyzer_CXXFLAGS = -g3 -march=nocona -Wall -DBIGENDIAN=0 10 molecuilder_CXXFLAGS = -march=nocona -Wall -DBIGENDIAN=0 11 joiner_CXXFLAGS = -march=nocona -Wall -DBIGENDIAN=0 12 analyzer_CXXFLAGS = -march=nocona -Wall -DBIGENDIAN=0 14 13 15 14 #EXTRA_DIST = ${molecuilder_DATA} -
molecuilder/src/helpers.cpp
r054af7 rda83f8 23 23 }; 24 24 25 /** Output of a debug message to stderr. 26 * \param *P Problem at hand, points to ParallelSimulationData#me 27 * \param output output string 28 */ 29 #ifdef HAVE_DEBUG 30 void debug_in(const char *output, const char *file, const int line) { 31 if (output) fprintf(stderr,"DEBUG: in %s at line %i: %s\n", file, line, output); 32 } 33 #else 34 void debug_in(const char *output, const char *file, const int line) {} // print nothing 35 #endif 25 36 26 37 /** Wrapper for allocating'ing a memory range with *output if it fails. -
molecuilder/src/helpers.hpp
r054af7 rda83f8 22 22 23 23 /********************************************** helpful functions *********************************/ 24 25 // taken out of TREMOLO 26 /*@-namechecks@*/ 27 #ifndef __GNUC__ 28 # undef __attribute__ 29 # define __attribute__(x) 30 #endif 31 /*@=namechecks@*/ 32 33 /* Behandelt aufgetretene Fehler. error ist der Fehlertyp(enum Errors) 34 void *SpecialData ist ein untypisierter Zeiger auf Spezielle Daten zur Fehlerbehandlung. 35 Man koennte auch noch einen Zeiger auf eine Funktion uebergeben */ 36 extern void /*@exits@*/ debug(const char *output); 37 //__attribute__ ((__return__)); 38 #define debug(data) debug_in((data), __FILE__, __LINE__) 39 40 extern void /*@exits@*/ debug_in(const char *output, 41 const char *file, const int line); 42 //__attribute__ ((__return__)); 24 43 25 44 double ask_value(const char *text); -
molecuilder/src/molecules.cpp
r054af7 rda83f8 1871 1871 MoleculeLeafClass *Subgraphs = NULL; // list of subgraphs from DFS analysis 1872 1872 1873 #ifdef ADDHYDROGEN 1874 debug("Test"); 1875 cout << Verbose(0) << "I will treat hydrogen special and saturate dangling bonds with it." << endl; 1876 #else 1877 debug("Test2"); 1878 cout << Verbose(0) << "Hydrogen is treated just like the rest of the lot." << endl; 1879 #endif 1880 1873 1881 CreateListOfBondsPerAtom(out); 1874 1882 -
pcp/Makefile.am
r054af7 rda83f8 2 2 SUBDIRS = src doc 3 3 DIST_SUBDIRS = ${SUBDIRS} 4 #defaults/pseudopot5 4 6 5 #include aminclude.am … … 8 7 pcpdir = ${bindir} 9 8 10 EXTRA_DIST = util/suffix autogen.sh util/visual.cfg util/visual.net9 EXTRA_DIST = util/suffix pseudopot/ autogen.sh util/visual.cfg util/visual.net 11 10 12 11 #configs.tar.gz: -
pcp/configure.ac
r054af7 rda83f8 76 76 77 77 # debugging info 78 AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information (default is no)]), 79 [enable_debug=$enableval], [enable_debug=maybe]) 80 if test x"$enable_debug" = xyes; then 78 AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information, argument is yes or debugging level (default is no).]), 79 [enable_debug=$enableval], [enable_debug=no]) 80 if ! test x"$enable_debug" = xno; then 81 if test x"${enable_debug}" = xyes; then 82 CFLAGS="-g3" 83 CXXFLAGS="-g3" 84 else 85 CFLAGS="-g${enable_debug}" 86 CXXFLAGS="-g${enable_debug}" 87 fi 81 88 AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"]) 82 89 AC_SUBST(HAVE_DEBUG) 83 90 fi 84 91 85 # add replacement/saturation hydrogen or not 86 AC_ARG_ENABLE([hydrogen],AS_HELP_STRING([--enable-hydrogen],[Adding saturation hydrogen (default is yes)]), 87 [enable_hydrogen=$enableval], [enable_hydrogen=yes]) 88 if test x"$enable_hydrogen" = xyes; then 89 AC_DEFINE(ADDHYDROGEN,1, ["Adding saturation hydrogen"]) 90 AC_SUBST(ADDHYDROGEN) 92 # optimization level 93 AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or debugging level. (default is 2)]), 94 [enable_optimization=$enableval], [enable_optimization=yes]) 95 if test ! x"$enable_optimization" = xno; then 96 if test x"$enable_debug" = xno; then 97 if test x"${enable_optimization}" = xyes; then 98 CFLAGS="-O2" 99 CXXFLAGS="-O2" 100 else 101 CFLAGS="-O${enable_optimization}" 102 CXXFLAGS="-O${enable_optimization}" 103 fi 104 else 105 AC_MSG_WARN(["Already specified --enable-debug!"]) 106 fi 91 107 fi 92 108 -
pcp/src/Makefile.am
r054af7 rda83f8 4 4 bin_PROGRAMS = pcp 5 5 pcp_SOURCES = ${SOURCE} ${HEADER} 6 #pcp_CFLAGS = -cc=gcc -g -O3 -march=nocona -Wall -DBIGENDIAN=0 7 pcp_CFLAGS = -cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O3 -march=nocona -Wall -DBIGENDIAN=0 8 #pcp_CFLAGS = -cc=gcc -g -O -fno-inline -march=nocona -Wall -DBIGENDIAN=0 6 pcp_CFLAGS = -fno-inline -march=nocona -Wall -DBIGENDIAN=0 -
pcp/src/Makefile.in
r054af7 rda83f8 76 76 DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST) 77 77 ACLOCAL = @ACLOCAL@ 78 ADDHYDROGEN = @ADDHYDROGEN@79 78 AMDEP_FALSE = @AMDEP_FALSE@ 80 79 AMDEP_TRUE = @AMDEP_TRUE@ … … 173 172 HEADER = data.h defs.h density.h energy.h errors.h excor.h grad.h gramsch.h helpers.h init.h ions.h mergesort2.h myfft.h mymath.h opt.h output.h pcp.h pdbformat.h perturbed.h pseudo.h riemann.h run.h wannier.h 174 173 pcp_SOURCES = ${SOURCE} ${HEADER} 175 #pcp_CFLAGS = -cc=gcc -g -O3 -march=nocona -Wall -DBIGENDIAN=0 176 pcp_CFLAGS = -cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O3 -march=nocona -Wall -DBIGENDIAN=0 174 pcp_CFLAGS = -fno-inline -march=nocona -Wall -DBIGENDIAN=0 177 175 all: all-am 178 176 … … 738 736 uninstall-am uninstall-binPROGRAMS uninstall-info-am 739 737 740 #pcp_CFLAGS = -cc=gcc -g -O -fno-inline -march=nocona -Wall -DBIGENDIAN=0741 738 # Tell versions [3.59,3.63) of GNU make to not export all variables. 742 739 # Otherwise a system limit (for SysV at least) may be exceeded. -
pcp/src/helpers.h
r054af7 rda83f8 31 31 extern void /*@exits@*/ debug(struct Problem *P, const char *output); 32 32 //__attribute__ ((__return__)); 33 #define debug( err, data) debug_in((err), (data), __FILE__, __LINE__)33 #define debug(problemstruct, data) debug_in((problemstruct), (data), __FILE__, __LINE__) 34 34 35 35 extern void /*@exits@*/ debug_in(struct Problem *P, const char *output, -
util/Makefile.am
r054af7 rda83f8 36 36 bin_SCRIPTS = ${scripts} 37 37 38 average_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=039 CreateGaAs_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=040 CreateH2_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=041 GetPdb_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=042 ReadSrcIon_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=043 stochastik_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=044 NanoCreator_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=045 VibrAlyzer_CFLAGS = - cc=/opt/packages/gcc-4.0.2/bin/gcc -g -O -march=nocona -Wall -DBIGENDIAN=038 average_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 39 CreateGaAs_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 40 CreateH2_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 41 GetPdb_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 42 ReadSrcIon_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 43 stochastik_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 44 NanoCreator_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 45 VibrAlyzer_CFLAGS = -march=nocona -Wall -DBIGENDIAN=0 46 46 -
util/configure.ac
r054af7 rda83f8 26 26 AC_TYPE_SIZE_T 27 27 28 # debugging info 29 AC_ARG_ENABLE([debug],AS_HELP_STRING([--enable-debug],[Output debugging information, argument is yes or debugging level (default is no).]), 30 [enable_debug=$enableval], [enable_debug=no]) 31 if ! test x"$enable_debug" = xno; then 32 if test x"${enable_debug}" = xyes; then 33 CFLAGS="-g3" 34 CXXFLAGS="-g3" 35 else 36 CFLAGS="-g${enable_debug}" 37 CXXFLAGS="-g${enable_debug}" 38 fi 39 AC_DEFINE(HAVE_DEBUG,1, ["Output debugging info"]) 40 AC_SUBST(HAVE_DEBUG) 41 fi 42 43 # optimization level 44 AC_ARG_ENABLE([optimization],AS_HELP_STRING([--enable-optimization],[Optimization level of compiler. Argument is yes or debugging level. (default is 2)]), 45 [enable_optimization=$enableval], [enable_optimization=yes]) 46 if test ! x"$enable_optimization" = xno; then 47 if test x"$enable_debug" = xno; then 48 if test x"${enable_optimization}" = xyes; then 49 CFLAGS="-O2" 50 CXXFLAGS="-O2" 51 else 52 CFLAGS="-O${enable_optimization}" 53 CXXFLAGS="-O${enable_optimization}" 54 fi 55 else 56 AC_MSG_WARN(["Already specified --enable-debug!"]) 57 fi 58 fi 59 28 60 # Checks for library functions. 29 61 AC_FUNC_MALLOC
Note:
See TracChangeset
for help on using the changeset viewer.
