Changeset 482400e for ThirdParty/mpqc_open/configure.ac

Timestamp:

Mar 2, 2017, 7:39:59 AM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, Subpackage_levmar, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

73feb7

Parents:

860145

git-author:

Frederik Heber <heber@…> (11/16/16 11:14:10)

git-committer:

Frederik Heber <heber@…> (03/02/17 07:39:59)

Message:

Changes to mpqc_open to be usable as autoconf subdir.

File:

• ThirdParty/mpqc_open/configure.ac (moved) (moved from ThirdParty/mpqc_open/configure.in ) (41 diffs)

ThirdParty/mpqc_open/configure.ac

@@ -13 +13 @@
 AC_CANONICAL_SYSTEM
 
-AC_DEFINE_UNQUOTED(HOST_ARCH, "$host")
-AC_DEFINE_UNQUOTED(TARGET_ARCH, "$target")
+AC_DEFINE_UNQUOTED(HOST_ARCH, "$host", ["host"])
+AC_DEFINE_UNQUOTED(TARGET_ARCH, "$target", ["target"])
 
 define([default_prefix_dash],ifelse(sc_buildid, ,[],[-]))
@@ -30 +30 @@
 SC_MICRO_VERSION=`echo $SC_MMM_VERSION|sed 's/[0-9]*\.[0-9]*\.\([0-9]*\)/\1/'`
 changequote([, ])dnl
-AC_DEFINE_UNQUOTED(SC_MAJOR_VERSION,$SC_MAJOR_VERSION)
-AC_DEFINE_UNQUOTED(SC_MINOR_VERSION,$SC_MINOR_VERSION)
-AC_DEFINE_UNQUOTED(SC_MICRO_VERSION,$SC_MICRO_VERSION)
+AC_DEFINE_UNQUOTED(SC_MAJOR_VERSION,$SC_MAJOR_VERSION, ["major version number"])
+AC_DEFINE_UNQUOTED(SC_MINOR_VERSION,$SC_MINOR_VERSION, ["minor version number"])
+AC_DEFINE_UNQUOTED(SC_MICRO_VERSION,$SC_MICRO_VERSION, ["micro version number"])
 
 EXCLUDED_DIRS=
@@ -158 +158 @@
 )
 if test $DEFAULT_PARALLEL = mpi; then
-  AC_DEFINE(DEFAULT_MPI)
+  AC_DEFINE(DEFAULT_MPI, 1, ["use MPI as default"])
 elif test $DEFAULT_PARALLEL = mtmpi; then
-  AC_DEFINE(DEFAULT_MPI)
-  AC_DEFINE(DEFAULT_MTMPI)
+  AC_DEFINE(DEFAULT_MPI, 1, ["use MPI as default"])
+  AC_DEFINE(DEFAULT_MTMPI, 1, ["use multi-threaded MPI as default"])
 elif test $DEFAULT_PARALLEL = armcimpi; then
-  AC_DEFINE(DEFAULT_MPI)
-  AC_DEFINE(DEFAULT_ARMCI)
+  AC_DEFINE(DEFAULT_MPI, 1, ["use MPI as default"])
+  AC_DEFINE(DEFAULT_ARMCI, 1, ["use ARMCI as default"])
 fi
 
@@ -190 +190 @@
 ]
 )
-AC_DEFINE_UNQUOTED(SC_MPI_THREAD_LEVEL,$SC_MPI_THREAD_LEVEL)
+AC_DEFINE_UNQUOTED(SC_MPI_THREAD_LEVEL,$SC_MPI_THREAD_LEVEL, ["thread level for MPI"])
 
 AC_ARG_ENABLE(long-long,
@@ -237 +237 @@
   ;;
   no)
-    AC_DEFINE(REF_OPTIMIZE)
+    AC_DEFINE(REF_OPTIMIZE, 1, ["do not check for reference count overwrites"])
   ;;
   *)
@@ -245 +245 @@
 ],[
   if test $DEBUG = no -o $DEBUG = opt; then
-    AC_DEFINE(REF_OPTIMIZE)
+    AC_DEFINE(REF_OPTIMIZE, 1, ["do not check for reference count overwrites"])
   fi
 ]
@@ -330 +330 @@
 )
 AC_SUBST(BUILDID)
-AC_DEFINE_UNQUOTED(SC_BUILDID,"$BUILDID")
+AC_DEFINE_UNQUOTED(SC_BUILDID,"$BUILDID", ["build identifier"])
 
 DEFAULT_SC_MEMORY=32000000
@@ -337 +337 @@
 DEFAULT_SC_MEMORY=$withval
 )
-AC_DEFINE_UNQUOTED(DEFAULT_SC_MEMORY,$DEFAULT_SC_MEMORY)
+AC_DEFINE_UNQUOTED(DEFAULT_SC_MEMORY,$DEFAULT_SC_MEMORY, ["default memory allocation"])
 
 if test "$BUILDID"; then
@@ -345 +345 @@
 fi
 
-AC_DEFINE_UNQUOTED(SC_VERSION, "$SC_VERSION")
+AC_DEFINE_UNQUOTED(SC_VERSION, "$SC_VERSION", ["SC version"])
 AC_SUBST(SC_VERSION)
 
@@ -754 +754 @@
   CXXFLAGS_SAV=$CXXFLAGS
   CXXFLAGS="-mtune=$opt_target_cpu $CXXFLAGS_SAV"
-  AC_COMPILE_IFELSE([int main(){}],cxx_tuneflag="-mtune",cxx_tuneflag="-mcpu")
+  AC_COMPILE_IFELSE([AC_LANG_PROGRAM([int main(){}])],cxx_tuneflag="-mtune",cxx_tuneflag="-mcpu")
   CXXFLAGS=$CXXFLAGS_SAV
   AC_LANG_RESTORE
@@ -764 +764 @@
   CFLAGS_SAV=$CFLAGS
   CFLAGS="-mtune=$opt_target_cpu $CFLAGS_SAV"
-  AC_COMPILE_IFELSE([int main(){}],cc_tuneflag="-mtune",cc_tuneflag="-mcpu")
+  AC_COMPILE_IFELSE([AC_LANG_PROGRAM([int main(){}])],cc_tuneflag="-mtune",cc_tuneflag="-mcpu")
   CFLAGS=$CFLAGS_SAV
   AC_MSG_RESULT($cc_tuneflag)
@@ -892 +892 @@
   f(g);
 ],[
-AC_DEFINE(HAVE_TYPENAME)
+AC_DEFINE(HAVE_TYPENAME, 1, ["use typename keyword"])
 AC_MSG_RESULT("yes")
 ],
 AC_MSG_RESULT("no")
+AC_DEFINE(typename, [], ["remove usage of absent typename keyword by empty define"])
 );
 AC_LANG_RESTORE
@@ -903 +904 @@
 AC_LANG_SAVE
 AC_LANG_CPLUSPLUS
-AC_TRY_LINK(,[double *restrict x=0;],AC_DEFINE(CXX_RESTRICT))
+AC_TRY_LINK(,[double *restrict x=0;],
+        AC_DEFINE(CXX_RESTRICT, 1, ["c++ restricted extensions"])
+        AC_DEFINE(restrictxx, [restrict], ["convert keyword for c++ restricted extensions"]),
+
+        AC_DEFINE(restrictxx, [], ["convert keyword to none for c++ restricted extensions"]),
+)
 AC_LANG_RESTORE
 
@@ -933 +939 @@
   o << endl;
 ],[
-AC_DEFINE(USING_NAMESPACE_STD)
+AC_DEFINE(USING_NAMESPACE_STD, 1, ["using namespace std"])
 NAMESPACE_STD=std::
 AC_MSG_RESULT("yes")
@@ -1062 +1068 @@
 fi])
 if test $sc_cv_c_bigendian = yes; then
-  AC_DEFINE(WORDS_BIGENDIAN)
+  AC_DEFINE(WORDS_BIGENDIAN, 1, ["use big endian encoding"])
 fi
 ])
@@ -1113 +1119 @@
 fi
 if test X$HAVE_PTHREAD = Xyes; then
-  AC_DEFINE(HAVE_PTHREAD)
+  AC_DEFINE(HAVE_PTHREAD, 1, ["use pthreads"])
   EXTRADEFINES="-D_REENTRANT $EXTRADEFINES"
   AC_CHECK_FUNC(pthread_attr_getstacksize)
@@ -1138 +1144 @@
     HAVE_PERF=yes
     LIBS="-lperf $LIBS"
-    AC_DEFINE(HAVE_PERF)
+    AC_DEFINE(HAVE_PERF, 1, ["use perf"])
     ])
   ]
@@ -1147 +1153 @@
 AC_CHECK_FUNC(backtrace_symbols_fd, HAVE_BACKTRACE_SYMBOLS_FD_FUNC=1)
 if test -n "$HAVE_EXECINFO_H_INC" -a -n "$HAVE_BACKTRACE_FUNC"  -a -n "$HAVE_BACKTRACE_SYMBOLS_FD_FUNC"; then
-  AC_DEFINE(HAVE_BACKTRACE)
+  AC_DEFINE(HAVE_BACKTRACE, 1, ["use backtrace"])
 fi
 
@@ -1170 +1176 @@
   fi
   if test X$HAVE_MPI = Xyes; then
-    AC_DEFINE(HAVE_MPI)
+    AC_DEFINE(HAVE_MPI, 1, ["have MPI"])
     AC_CHECK_FUNC(MPI_File_open,
-                 [HAVE_MPIIO=yes;AC_DEFINE(HAVE_MPIIO)])
+                 [HAVE_MPIIO=yes;AC_DEFINE(HAVE_MPIIO, 1, ["have MPI IO extensions"])])
     AC_CHECK_FUNC(MPI_Init_thread,
-                 [AC_DEFINE(HAVE_MPI_INIT_THREAD)])
+                 [AC_DEFINE(HAVE_MPI_INIT_THREAD, 1, ["have MPI init thread"])])
     HAVE_MPIPP=no; 
     AC_CHECK_LIB(mpi++,MPI_Abort,[HAVE_MPIPP=yes;LIBS="-lmpi++ $LIBS"])
@@ -1180 +1186 @@
       AC_CHECK_LIB(pmpich++,MPI_Abort,[HAVE_MPIPP=yes;LIBS="-lpmpich++ $LIBS"])
     fi
-    AC_DEFINE(HAVE_MPIPP)
+    AC_DEFINE(HAVE_MPIPP, 1, ["have MPI PP"])
   fi
   AC_LANG_RESTORE
@@ -1188 +1194 @@
   AC_MSG_ERROR([--enable-always-use-mpi is set but MPI is not available])
 elif test $ALWAYS_USE_MPI = yes; then
-  AC_DEFINE(ALWAYS_USE_MPI)
+  AC_DEFINE(ALWAYS_USE_MPI, 1, ["always use MPI"])
 fi
 
@@ -1202 +1208 @@
 
   if test X$HAVE_ARMCI = Xyes; then
-    AC_DEFINE(HAVE_ARMCI)
+    AC_DEFINE(HAVE_ARMCI, 1, ["use ARMCI"])
   fi
 
@@ -1247 +1253 @@
 AC_LANG_CPLUSPLUS
 AC_MSG_CHECKING(isnan and iostream)
-AC_LINK_IFELSE([
+AC_LINK_IFELSE([AC_LANG_PROGRAM([
   #include <iostream>
   #include <math.h>
   int main(int,char**) { isnan(1.0); return 0; }
-  ],
-  AC_DEFINE(HAVE_ISNAN)
+  ])],
+  AC_DEFINE(HAVE_ISNAN,1, ["isnan available"])
   AC_MSG_RESULT(yes),
   AC_MSG_RESULT(no)
@@ -1270 +1276 @@
 fchdir(0);
 ],[HAVE_FCHDIR=yes
-AC_DEFINE(HAVE_FCHDIR)
+AC_DEFINE(HAVE_FCHDIR, 1, ["have fchdir"])
 AC_MSG_RESULT(yes)],[
 AC_MSG_RESULT(no)
@@ -1286 +1292 @@
 $NAMESPACE_STD ios::fmtflags flags;
 ],[HAVE_IOS_FMTFLAGS=yes
-AC_DEFINE(HAVE_IOS_FMTFLAGS)
+AC_DEFINE(HAVE_IOS_FMTFLAGS, 1, ["have iostream format flags"])
 AC_MSG_RESULT(yes)],[
 AC_MSG_RESULT(no)
@@ -1302 +1308 @@
 AC_TRY_COMPILE([],[
 long long i;
-],[AC_DEFINE(HAVE_LONG_LONG)
+],[AC_DEFINE(HAVE_LONG_LONG, 1, ["have long long"])
 AC_MSG_RESULT(yes)],[
 AC_MSG_RESULT(no)
@@ -1318 +1324 @@
 $NAMESPACE_STD streambuf *s=0; s->sgetn(c,0);
 ],[HAVE_SGETN=yes
-AC_DEFINE(HAVE_SGETN)
+AC_DEFINE(HAVE_SGETN, 1, ["have sgetn"])
 AC_MSG_RESULT(yes)],[
 AC_MSG_RESULT(no)
@@ -1335 +1341 @@
                                         $NAMESPACE_STD ios::out);
 ],[HAVE_PUBSEEKOFF=yes
-AC_DEFINE(HAVE_PUBSEEKOFF)
+AC_DEFINE(HAVE_PUBSEEKOFF, 1, ["have pubseekoff"])
 AC_MSG_RESULT(yes)],[
 AC_MSG_RESULT(no)
@@ -1352 +1358 @@
                                      $NAMESPACE_STD ios::out);
 ],[HAVE_SEEKOFF=yes
-AC_DEFINE(HAVE_SEEKOFF)
+AC_DEFINE(HAVE_SEEKOFF, 1, ["have seekoff"])
 AC_MSG_RESULT(yes)],[
 AC_MSG_RESULT(no)
@@ -1375 +1381 @@
   signal(SIGINT, (signal_handler)handler);
 ],
-AC_DEFINE(SIGHASELLIP) AC_MSG_RESULT(yes),
+AC_DEFINE(SIGHASELLIP, 1, ["signal handler needs ellipsis"]) AC_MSG_RESULT(yes),
 AC_MSG_RESULT(no))
 AC_LANG_RESTORE
@@ -1398 +1404 @@
           X$ac_cv_header_sys_shm_h = Xyes; then
     HAVE_SYSV_IPC=yes
-    AC_DEFINE(HAVE_SYSV_IPC)
+    AC_DEFINE(HAVE_SYSV_IPC, 1, ["use SYSVIPC"])
   else
     HAVE_SYSV_IPC=no
@@ -1422 +1428 @@
 case $target in
   *-sgi-irix*)
-    AC_DEFINE(SEMCTL_REQUIRES_SEMUN) AC_MSG_RESULT(sgi-irix -- yes)
+    AC_DEFINE(SEMCTL_REQUIRES_SEMUN, 1, ["semctl requires semun"]) AC_MSG_RESULT(sgi-irix -- yes)
   ;;
   *)
@@ -1429 +1435 @@
 esac
 ],
-AC_DEFINE(SEMCTL_REQUIRES_SEMUN) AC_MSG_RESULT(yes))
-AC_LANG_RESTORE
+AC_DEFINE(SEMCTL_REQUIRES_SEMUN, 1, ["semctl requires semun"]) AC_MSG_RESULT(yes))
+AC_LANG_RESTORE
+AC_DEFINE(SHMTYPE, [char *], ["type to use in shared memory"])
 
 dnl ----------- See if Fortran works --------------
@@ -1542 +1549 @@
 LIBS="$LIBSSAV"
 if test $HAVE_SCALABLE_BLAS = yes; then
-  AC_DEFINE(HAVE_SCALABLE_BLAS)
+  AC_DEFINE(HAVE_SCALABLE_BLAS, 1, ["have scalabale blas"])
 fi
 
@@ -1561 +1568 @@
   exit(0);
 ],[
-  AC_DEFINE(HAVE_NIAMA)
+  AC_DEFINE(HAVE_NIAMA, 1, ["have NIAMA"])
 ],[
   LIBS="$LIBSSAV"
@@ -1577 +1584 @@
   AC_CHECK_LIB(int,init_libint_base,
     HAVE_LIBINT=yes
-    AC_DEFINE(HAVE_LIBINT)
+    AC_DEFINE(HAVE_LIBINT, 1, ["have libint"])
     AC_SUBST(HAVE_LIBINT)
     LIBS="-lint $LIBS"
@@ -1591 +1598 @@
   AC_CHECK_LIB(r12,init_libr12_base,
     HAVE_LIBR12=yes
-    AC_DEFINE(HAVE_LIBR12)
+    AC_DEFINE(HAVE_LIBR12, 1, ["have libr12"])
     AC_SUBST(HAVE_LIBR12)
     LIBS="-lr12 $LIBS"
@@ -1605 +1612 @@
   AC_CHECK_LIB(deriv,init_libderiv_base,
     HAVE_LIBDERIV=yes
-    AC_DEFINE(HAVE_LIBDERIV)
+    AC_DEFINE(HAVE_LIBDERIV, 1, ["have libderiv"])
     AC_SUBST(HAVE_LIBDERIV)
     LIBS="-lderiv $LIBS"
@@ -1681 +1688 @@
     CXXFLAGS="$CXXFLAGS -fno-implicit-templates"
     EXPLICIT_TEMPLATE_INSTANTIATION=yes
-    AC_DEFINE(EXPLICIT_TEMPLATE_INSTANTIATION)
+    AC_DEFINE(EXPLICIT_TEMPLATE_INSTANTIATION, 1, ["template instantiation flags"])
     ;;
   sunexpl)
     CXXFLAGS="$CXXFLAGS -instances=explicit"
-    AC_DEFINE(EXPLICIT_TEMPLATE_INSTANTIATION)
+    AC_DEFINE(EXPLICIT_TEMPLATE_INSTANTIATION, 1, ["template instantiation flags"])
     ;;
   ptused)
@@ -1801 +1808 @@
 
   AC_CHECK_HEADER(sidl.h,
-    AC_DEFINE(HAVE_SIDL_HEADERS),
+    AC_DEFINE(HAVE_SIDL_HEADERS, 1, ["have sidl"]),
     AC_MSG_ERROR([problem with babel headers]) )
   AC_CHECK_HEADER(gov_cca_IOR.h,
-    AC_DEFINE(HAVE_CCA_SPEC_BABEL_HEADERS),
+    AC_DEFINE(HAVE_CCA_SPEC_BABEL_HEADERS, 1, ["have CCA spec babel headers"]),
     AC_MSG_ERROR([problem with cca-spec-babel headers]) )
   AC_CHECK_HEADER(Chemistry_QC_Model_IOR.h,
-    AC_DEFINE(HAVE_CCA_CHEM_HEADERS),
+    AC_DEFINE(HAVE_CCA_CHEM_HEADERS, 1, ["have CCA chem headers"]),
     AC_MSG_ERROR([problem with cca-chem-generic headers]) )
 
@@ -1822 +1829 @@
 
 if test "$enableproduction" = "no"; then
-AC_DEFINE_DIR(SRC_SCLIBDIR, srcdir/lib)
-fi
-AC_DEFINE_DIR(INSTALLED_SCLIBDIR, prefix/lib)
-AC_DEFINE_DIR(SCDATADIR, scdatadir)
+AC_DEFINE_DIR(SRC_SCLIBDIR, srcdir/lib, ["source SC libdir"])
+fi
+AC_DEFINE_DIR(INSTALLED_SCLIBDIR, prefix/lib, ["install SC libdir"])
+AC_DEFINE_DIR(SCDATADIR, scdatadir, ["SC data dir"])
 
 dnl --------- Create the stub Makefiles. ---------