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#ifndef MPQCCONFIG_H
#define MPQCCONFIG_H
/* Define if the C++ restrict keyword extension exists. */
#cmakedefine HAVE_CXX_RESTRICT
/* Define if the C++ __restrict__ keyword extension exists. */
#cmakedefine HAVE_CXX___RESTRICT__
#if defined(HAVE_CXX_RESTRICT)
#define RESTRICT restrict
#elif defined(HAVE_CXX___RESTRICT__)
#define RESTRICT __restrict__
#else
#define RESTRICT
#endif
/* Define if the deprecated attribute exists in C++. */
#cmakedefine CXX_DEPRECATED
#ifdef CXX_DEPRECATED
#define DEPRECATED __attribute__((deprecated))
#else
#define DEPRECATED
#endif
/* Define if you want to optimize the reference counting code. */
#cmakedefine REF_OPTIMIZE
/* Define if you have <stdint.h>. */
#cmakedefine HAVE_STDINT_H @HAVE_STDINT_H@
/* Define if you have <sys/types.h>. */
#cmakedefine HAVE_SYS_TYPES_H
/* Define if you have <pwd.h>. */
#cmakedefine HAVE_PWD_H
/* Define if you have <sys/times.h>. */
#cmakedefine HAVE_SYS_TIME_H
/* Define if you have <sys/times.h>. */
#cmakedefine HAVE_SYS_TIMES_H
/* Define if you have <time.h>. */
#cmakedefine HAVE_TIME_H
/* Define if you have <sys/resource.h>. */
#cmakedefine HAVE_SYS_RESOURCE_H
/* Define if you have the long long type extension. */
#ifndef HAVE_LONG_LONG
#cmakedefine HAVE_LONG_LONG
#endif
/* Define if you have streambuf::pubseekoff (you should). */
#cmakedefine HAVE_PUBSEEKOFF
/* Define if you have a public streambuf::seekoff. */
#cmakedefine HAVE_SEEKOFF
/* Define as the return type of signal handlers (int or void). */
#cmakedefine RETSIGTYPE
#ifndef RETSIGTYPE
#define RETSIGTYPE void
#endif
/* Define if signal handlers have an ellipsis argument in C++. */
#cmakedefine SIGHASELLIP
/* Define if you have the setenv function. */
#cmakedefine HAVE_SETENV
/* Define if isnan is available from C++. */
#cmakedefine HAVE_ISNAN
/* Define if you have the signal function. */
#cmakedefine HAVE_SIGNAL
/* Define if you have the system function. */
#cmakedefine HAVE_SYSTEM
/* Define if you have the posix_spawn function. */
#cmakedefine HAVE_POSIX_SPAWN
/* Define if you have the drand48 function. */
#cmakedefine HAVE_DRAND48
/* Define if you have the fchdir function. */
#cmakedefine HAVE_FCHDIR
/* Define if you have the getpwuid function. */
#cmakedefine HAVE_GETPWUID
/* Define if you have the geteuid function. */
#cmakedefine HAVE_GETEUID
/* Define if you have the gethostname function. */
#cmakedefine HAVE_GETHOSTNAME
/* Define if you have the time function. */
#cmakedefine HAVE_TIME
/* Define if you have the ctime function. */
#cmakedefine HAVE_CTIME
/* Define if you have the C99 <fenv.h>. */
#cmakedefine HAVE_FENV_H
/* Define if you have the glibc feenableexcept extension. */
#cmakedefine HAVE_FEENABLEEXCEPT
/* Define if you have the glibc fedisableexcept extension. */
#cmakedefine HAVE_FEDISABLEEXCEPT
/* Define if you have the setrlimit function. */
#cmakedefine HAVE_SETRLIMIT
/* Define if semctl must have a semun as the fourth argument. */
#cmakedefine SEMCTL_REQUIRES_SEMUN
/* Define to the type used for shared memory. */
/* #cmakedefine SHMTYPE */
#ifndef SHMTYPE
#define SHMTYPE char*
#endif
/* Define if you have the <sys/time.h> header file. */
#cmakedefine HAVE_SYS_TIME_H
/* Define if you have the <unistd.h> header file. */
#cmakedefine HAVE_UNISTD_H
/* Define if you have the <pthread.h> header file and the pthread library. */
#cmakedefine HAVE_PTHREAD @HAVE_PTHREAD@
/* Define if you can have the pthread_attr_setstacksize function. */
#cmakedefine HAVE_PTHREAD_ATTR_SETSTACKSIZE
/* Define if you can have the pthread_attr_getstacksize function. */
#cmakedefine HAVE_PTHREAD_ATTR_GETSTACKSIZE
/* Define if you can have the pthread_attr_getscope function. */
#cmakedefine HAVE_PTHREAD_ATTR_GETSCOPE
/* Define if you can have the pthread_attr_setscope function. */
#cmakedefine HAVE_PTHREAD_ATTR_SETSCOPE
/* Define if you can have the pthread_attr_getinheritsched function. */
#cmakedefine HAVE_PTHREAD_ATTR_GETINHERITSCHED
/* Define if you can have the pthread_attr_setinheritsched function. */
#cmakedefine HAVE_PTHREAD_ATTR_SETINHERITSCHED
/* Define if you can have the pthread_attr_setschedpolicy function. */
#cmakedefine HAVE_PTHREAD_ATTR_SETSCHEDPOLICY
/* Define if you can have the pthread_attr_getschedpolicy function. */
#cmakedefine HAVE_PTHREAD_ATTR_GETSCHEDPOLICY
/* Define if you can have the pthread_attr_setschedparam function. */
#cmakedefine HAVE_PTHREAD_ATTR_SETSCHEDPARAM
/* Define if you can have the pthread_attr_getschedparam function. */
#cmakedefine HAVE_PTHREAD_ATTR_GETSCHEDPARAM
/* Define if you can have the sched_get_priority_max function. */
#cmakedefine HAVE_SCHED_GET_PRIORITY_MAX
/* Define if you can have the sched_get_priority_min function. */
#cmakedefine HAVE_SCHED_GET_PRIORITY_MIN
/* Define if you have the <mpi.h> header file and library. */
#cmakedefine HAVE_MPI
/* Define if you have the MPI_Init_thread routine. */
#define HAVE_MPI_INIT_THREAD // Are there even any MPI's without it?
/* Set to the MPI macro defined the desired threading support level. */
#define MPQC_MPI_THREAD_LEVEL MPI_THREAD_MULTIPLE // assume we want that always
/* Define if you have the <armci.h> header file and library. */
#cmakedefine HAVE_ARMCI
#if (defined HAVE_MPI) && (defined HAVE_ARMCI)
#define MPQC_PARALLEL
#endif
/* Define if you have the libint2 header file and library. */
#cmakedefine HAVE_LIBINT2
/* Define what is the normalization convention of IntegralLibint2, 1(cca) or 2(exact). */
#cmakedefine INTEGRALLIBINT2_NORMCONV @INTEGRALLIBINT2_NORMCONV@
#define INTEGRALLIBINT2_NORMCONV_CCA 1
#define INTEGRALLIBINT2_NORMCONV_EXACT 2
#ifndef INTEGRALLIBINT2_NORMCONV
# define INTEGRALLIBINT2_NORMCONV INTEGRALLIBINT2_NORMCONV_CCA
#else
# if INTEGRALLIBINT2_NORMCONV != INTEGRALLIBINT2_NORMCONV_CCA && INTEGRALLIBINT2_NORMCONV != INTEGRALLIBINT2_NORMCONV_EXACT
# error "Preprocessor directive INTEGRALLIBINT2_NORMCONV has invalid value"
# endif
#endif
/* Define if MADNESS is available. */
#cmakedefine MPQC_HAS_MADNESS
/* Define if TiledArray is available. */
#cmakedefine MPQC_HAS_TILEDARRAY
/* Define if OpenBabel2 is available. */
#cmakedefine HAVE_OPENBABEL2
/* Define if Psi-MPQC interface can be compiled. */
#cmakedefine HAVE_PSI3
/* Define if libPSI_psio has purge function. */
#cmakedefine HAVE_PSIO_PURGE
/* The location of Psi3 root directory. */
#cmakedefine PSI3ROOTDIR "@PSI3ROOTDIR@"
/* Define if your MPI implementation has MPI-IO functions */
#cmakedefine HAVE_MPIIO
/* Define if you have the <perf.h> header file and library. */
#cmakedefine HAVE_PERF
/* Define if you have <libunwind.h> and unw_init_local. */
#cmakedefine HAVE_LIBUNWIND
/* Define if you have <execinfo.h> backtrace and backtrace_symbol. */
#cmakedefine HAVE_BACKTRACE
/* Define if you have abi::__cxa_demangle. */
#cmakedefine HAVE_CXA_DEMANGLE
/* Define if MPIMessageGrp should be used by default. */
#cmakedefine DEFAULT_MPI
/* Define if MTMPIMemoryGrp should be used by default. */
#cmakedefine DEFAULT_MTMPI
/* Define if ARMCIMemoryGrp should be used by default. */
#cmakedefine DEFAULT_ARMCI
/* Define if is MPI is always used (needed if MPI_Init is used to
initialize argument list). */
#cmakedefine ALWAYS_USE_MPI
/* Define if you have the m library (-lm). */
#cmakedefine HAVE_LIBM
/* Define if you have the sun library (-lsun). */
#cmakedefine HAVE_LIBSUN
/* Define if you have the fl library (-lfl). */
#cmakedefine HAVE_LIBFL
/* Define if you have the dl library (-ldl). */
#cmakedefine HAVE_LIBDL
/* Define if you have the <dlfcn.h> header file. */
#cmakedefine HAVE_DLFCN_H
/* Defines the sizeof(int64_t) */
#cmakedefine C_TYPE_INT64_T @C_TYPE_INT64_T@
/* Defines the sizeof(int32_t) */
#cmakedefine C_TYPE_INT32_T @C_TYPE_INT32_T@
/* Defines the sizeof(long) */
#cmakedefine C_TYPE_LONG @C_TYPE_LONG@
/* Defines the sizeof(int) */
#cmakedefine C_TYPE_INT @C_TYPE_INT@
/* Determines the width of the integer use by BLAS F77 interface */
#cmakedefine F77_INTEGER_WIDTH @F77_INTEGER_WIDTH@
/* Define if you have the Scalable BLAS package and everything needed for it.
*/
#cmakedefine HAVE_SCALABLE_BLAS
/* Define if machine byte order is big endian. */
#cmakedefine WORDS_BIGENDIAN
/* Define if have Python language support. */
#cmakedefine HAVE_PYTHON
/* The host architecture. */
#cmakedefine HOST_ARCH
/* The target architecture. */
#cmakedefine TARGET_ARCH "@TARGET_ARCH@"
/* The version number. */
#define MPQC_VERSION "@MPQC_VERSION@"
/* The major version number. */
#define MPQC_MAJOR_VERSION @MPQC_MAJOR_VERSION@
/* The minor version number. */
#define MPQC_MINOR_VERSION @MPQC_MINOR_VERSION@
/* The micro version number. */
#define MPQC_MICRO_VERSION @MPQC_MICRO_VERSION@
/* The buildid. */
#define MPQC_BUILDID "@MPQC_BUILDID@"
/* The library directory in the src distribution. */
#define SRC_MPQC_DATA_PATH "@SRC_MPQC_DATA_PATH@"
/* The installed location of the library directory. */
#define INSTALLED_MPQC_DATA_PATH "@INSTALLED_MPQC_DATA_PATH@"
/* The location of architecture independent files. */
#define MPQCDATAPATH "@MPQCDATAPATH@"
/* The default memory allocation, in bytes. */
#cmakedefine DEFAULT_MPQC_MEMORY @DEFAULT_MPQC_MEMORY@
#ifndef DEFAULT_MPQC_MEMORY
#define DEFAULT_MPQC_MEMORY 536870912
#endif
/* Define if template should be explicitly instantiated. */
#cmakedefine EXPLICIT_TEMPLATE_INSTANTIATION
/* define if array has fill member function. */
#cmakedefine SC_ARRAY_HAS_FILL
/* define if std::array is available. */
#cmakedefine HAVE_STD_ARRAY
/* define if std::make_shared and std::allocate_shared are available. */
#cmakedefine SC_HAS_STD_MAKE_SHARED
/* define if std::shared_ptr is available. */
#cmakedefine SC_HAS_STD_SHARED_PTR
/* define if std::tr1::array is available. */
#cmakedefine SC_HAS_STD_TR1_ARRAY
/* define if std::tr1::shared_ptr is available. */
#cmakedefine SC_HAS_STD_TR1_SHARED_PTR
/* define if std::tr1 type traits are available. */
#cmakedefine SC_HAS_STD_TR1_TYPE_TRAITS
/* define if std type traits are available. */
#cmakedefine SC_HAS_STD_TYPE_TRAITS
/* define if SC is using <array>. */
#cmakedefine SC_USE_ARRAY
/* define if SC is using <boost/tr1/array.hpp>. */
#cmakedefine SC_USE_BOOST_TR1_ARRAY_HPP
/* define if SC is using <boost/tr1/memory.hpp>. */
#cmakedefine SC_USE_BOOST_TR1_MEMORY_HPP
/* define if SC is using <boost/tr1/type_traits.hpp>. */
#cmakedefine SC_USE_BOOST_TR1_TYPE_TRAITS_HPP
/* define if SC is using <memory>. */
#cmakedefine SC_USE_MEMORY
/* define if SC is using <tr1/array>. */
#cmakedefine SC_USE_TR1_ARRAY
/* define if SC is using <tr1/memory>. */
#cmakedefine SC_USE_TR1_MEMORY
/* define if SC is using <tr1/type_traits>. */
#cmakedefine SC_USE_TR1_TYPE_TRAITS
/* define if SC is using <type_traits>. */
#cmakedefine SC_USE_TYPE_TRAITS
#cmakedefine HAVE_PAPI
////////////////////////////////////////////////////////////////////////////////
// User-configurable macros that control program behavior
////////////////////////////////////////////////////////////////////////////////
/* how to check memory allocation/deallocation;
turn on if need memory management checking, and valgring is not available or not affordable.
0 - no profiling or tracing
1 - profile memory use (pring sizes, but without detailed trace info), at slight runtime and memory overhead
2 - trace memory use, using backtrace (if available) to detect the location of memory operations; performance impact can be significant,
especially on memory use
-1 - pick the default: ifdef NDEBUG ? 0 : 1
*/
#define MPQC_MEMORY_CHECK @MPQC_MEMORY_CHECK@
#if MPQC_MEMORY_CHECK == -1
# undef MPQC_MEMORY_CHECK
# ifdef NDEBUG
# define MPQC_MEMORY_CHECK 0
# else
# define MPQC_MEMORY_CHECK 1
# endif
#endif
/* Controls behavior of MPQC assertions.
0 - assertions disabled
1 - assert()
2 - throw std::exception()
-1 - pick the default: ifdef NDEBUG ? 0 : 2
*/
#define MPQC_ASSERT_MODE @MPQC_ASSERT_MODE@
#if MPQC_ASSERT_MODE == -1
# undef MPQC_ASSERT_MODE
# ifdef NDEBUG
# define MPQC_ASSERT_MODE 0
# else
# define MPQC_ASSERT_MODE 2
# endif
#endif
#endif /* MPQCCONFIG_H */
/*
* Local Variables:
* mode: c++
* End:
*/
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