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configure.ac
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configure.ac
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# Process this file with autoconf to produce a configure script.
#
#
#
#
define([psi_version],[3.4.0])
define([psi_buildid],[alpha])
define([psi_bugreport],[psicode@users.sourceforge.net])
AC_PREREQ([2.71])
AC_INIT([psi],[psi_version],[psi_bugreport])
AC_CONFIG_HEADERS([include/psiconfig.h])
PSI_VERSION=psi_version
PSI_BUILDID=psi_buildid
PSI_BUGREPORT=psi_bugreport
AC_SUBST(PSI_VERSION)
AC_SUBST(PSI_BUILDID)
AC_SUBST(PSI_BUGREPORT)
AC_CONFIG_AUX_DIR(bin)
AC_CANONICAL_TARGET
AC_PREFIX_DEFAULT(/usr/local/psi)
AC_PROG_MAKE_SET()
# Psi now is primarily C++
AC_LANG([C++])
srcdir=`(cd $srcdir; pwd)`
objincdir='$(top_objdir)/include'
AC_SUBST([objincdir])
if test -z $docdir; then
docdir='$(datadir)/doc/$(PACKAGE)'
AC_SUBST([docdir])
fi
if test -z $txtdir; then
txtdir='$(docdir)/txt'
AC_SUBST([txtdir])
fi
if test -z $htmldir; then
htmldir='$(docdir)/html'
AC_SUBST([htmldir])
fi
if test -z $dvidir; then
dvidir='$(docdir)/dvi'
AC_SUBST([dvidir])
fi
pkgdatadir='$(datadir)/psi'
AC_SUBST([pkgdatadir])
INSTALL_INCLUDE='$(top_srcdir)/bin/installinc.sh' AC_SUBST(INSTALL_INCLUDE)
MKDIRS='$(top_srcdir)/bin/mkdirs.sh' AC_SUBST(MKDIRS)
########
## PSI-specific options
########
# Options for libint
LIBINT_NEW_AM=8
LIBINT_OPT_AM=4
AC_ARG_WITH(max-am-eri,[ --with-max-am-eri maximum AM in ERIs],[
LIBINT_NEW_AM=$((2*($withval)))
LIBINT_OPT_AM=$(($withval))
])
AC_SUBST(LIBINT_NEW_AM)
AC_SUBST(LIBINT_OPT_AM)
# Options for libderiv
LIBDERIV_NEW_AM1=6
AC_ARG_WITH(max-am-deriv1,[ --with-max-am-deriv1 maximum AM in ERI first derivatives],[
LIBDERIV_NEW_AM1=$((2*($withval)))
])
AC_SUBST(LIBDERIV_NEW_AM1)
LIBDERIV_NEW_AM2=6
AC_ARG_WITH(max-am-deriv2,[ --with-max-am-deriv2 maximum AM in ERI second derivatives],[
LIBDERIV_NEW_AM2=$((2*($withval)))
])
AC_SUBST(LIBDERIV_NEW_AM2)
# Options for libr12
LIBR12_NEW_AM=6
LIBR12_OPT_AM=6
AC_ARG_WITH(max-am-r12,[ --with-max-am-r12 maximum AM in R12 integrals],[
LIBR12_NEW_AM=$((2*($withval)))
LIBR12_OPT_AM=$((2*($withval)))
])
AC_SUBST(LIBR12_NEW_AM)
AC_SUBST(LIBR12_OPT_AM)
PSI_INTEGRALS_STANDARD=1
AC_ARG_WITH(integrals-standard,[ --with-integrals-standard specifies the standard for the basis normalization, etc.
The allowed values are cca (default) and psi.],[
case $withval in
psi)
PSI_INTEGRALS_STANDARD=0
;;
cca)
PSI_INTEGRALS_STANDARD=1
;;
*)
AC_MSG_WARN([did not recognize value $withval. will assume the default])
;;
esac
])
AC_DEFINE_UNQUOTED(PSI_INTEGRALS_STANDARD,$PSI_INTEGRALS_STANDARD)
########
## Check for programs
########
case $target_os in
aix*)
CC_LIST="gcc cc_r cc"
CXX_LIST="g++ xlC_r c++"
F77_LIST="ifort gfortran g77 xlf_r f77"
;;
*)
CC_LIST="gcc icc cc"
CXX_LIST="g++ c++ icpc cxx"
F77_LIST="gfortran g77 ifort f77"
;;
esac
AC_ARG_WITH(aix64,
[ --with-aix64 Compiling on a 64-bit AIX machine.],
CXXFLAGS="$CXXFLAGS -maix64"
F77FLAGS="$F77FLAGS -maix64"
CFLAGS="$CFLAGS -maix64"
LDFLAGS="$LDFLAGS -maix64"
AIX64=yes
AC_MSG_RESULT([Compiling on 64-bit AIX])
)
AC_ARG_WITH(cc,[ --with-cc which C compiler to use],[
CC=$withval
])
AC_PROG_CC([$CC_LIST])
AC_ARG_WITH(cxx,[ --with-cxx which C++ compiler to use],[
CXX=$withval
])
AC_PROG_CXX([$CXX_LIST])
AC_ARG_WITH(fc,[ --with-fc which Fortran compiler to use],[
case $withval in
no)
F77="no"
;;
*)
F77=$withval
;;
esac
])
if test -z "$F77"; then
AC_PROG_F77
elif test "$F77" = "no"; then
F77=""
fi
dnl ----------- See if Fortran works --------------
if test -n "$F77" -a "$F77" != no ; then
AC_MSG_CHECKING([if fortran compiler works])
/bin/rm -f ffunc.f
echo " program main" > ffunc.f
echo " end" >> ffunc.f
if $F77 -o ffunc ffunc.f 1>&5 2>&5; then
AC_MSG_RESULT([yes])
F77_WORKS=yes
else
AC_MSG_RESULT([no])
F77_WORKS=no
fi
/bin/rm -f ffunc ffunc.f
fi
dnl ----------- Fortran symbol names --------------
AC_ARG_WITH(f77symbol,[ --with-f77symbol FORTRAN77 symbol convention
Allowed values are:
lc : lower-case
lcu : lower-case with underscore (default)
uc : upper-case
ucu : upper-case with underscore],[
case $withval in
lc)
FC_SYMBOL=1
;;
lcu)
FC_SYMBOL=2
;;
uc)
FC_SYMBOL=3
;;
ucu)
FC_SYMBOL=4
;;
*)
AC_MSG_WARN([did not recognize value $withval. will assume lower-case with underscore])
FC_SYMBOL=2
;;
esac
])
if test -z "$FC_SYMBOL"; then
AC_MSG_CHECKING([fortran symbols])
if test -n "$F77" -a "$F77" != no -a X$F77_WORKS != Xno; then
/bin/rm -f ffunc.f flink.cc
echo " subroutine ffunc()" > ffunc.f
echo " return" >> ffunc.f
echo " end" >> ffunc.f
$F77 -c ffunc.f 1>/dev/null 2>/dev/null
echo "extern \"C\" void FF(); int main(int argc, char** argv){ FF(); return 0; }" > flink.cc
if $CXX -o flink -DFF=ffunc flink.cc ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
AC_MSG_RESULT([lowercase])
FC_SYMBOL=1
elif $CXX -o flink -DFF=ffunc_ flink.cc ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
AC_MSG_RESULT([lowercase with underscore])
FC_SYMBOL=2
elif $CXX -o flink -DFF=FFUNC flink.cc ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
AC_MSG_RESULT([uppercase])
FC_SYMBOL=3
elif $CXX -o flink -DFF=FFUNC_ flink.cc ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
AC_MSG_RESULT([uppercase with underscore])
FC_SYMBOL=4
else
AC_MSG_RESULT([giving up])
AC_MSG_ERROR([could not determine F77 symbol names])
fi
/bin/rm -f ffunc.f ffunc.o flink flink.cc flink.o ffunc
else
FC_SYMBOL=2
AC_MSG_RESULT([will assume lowercase with underscore])
fi
fi
AC_SUBST(FC_SYMBOL)
AC_PROG_RANLIB
AC_PROG_CPP
AC_PROG_CXXCPP
AC_PROG_LEX([yywrap])
AC_PROG_YACC
AC_PROG_INSTALL
AC_PROG_LN_S
AC_CHECK_PROGS(AR,ar,ar)
AC_ARG_WITH(ar,
[ --with-ar Names the archive creator.],
AR=$withval
)
AC_SUBST(AR)
ARFLAGS=r
AC_ARG_WITH(ar-flags,
[ --with-ar-flags Flags for the the archive creator.],
ARFLAGS=$withval
)
case $os in
aix*)
ARFLAGS="-X32_64 $ARFLAGS"
;;
esac
AC_SUBST(ARFLAGS)
AC_ARG_WITH(ld,
[ --with-ld Names the object linker.],
LD=$withval
)
AC_SUBST(LD)
EXTRAINCDIRS=
CPPFLAGS=
AC_ARG_WITH(incdirs,
[ --with-incdirs Specifies include directories (-Idir1 -Idir2).],
EXTRAINCDIRS=$withval
CPPFLAGS=$withval
AC_MSG_RESULT([Using extra include directories: $withval])
)
AC_ARG_WITH(libs,
[ --with-libs Specifies libraries (-llib1 -llib2).],
LDLIBS=$withval
AC_MSG_RESULT([Using extra libraries: $withval])
)
AC_SUBST(LDLIBS)
LDFLAGS=
LIBDIRS=
AC_ARG_WITH(libdirs,
[ --with-libdirs Specifies library directories (-Ldir1 -Ldir2).],
LIBDIRS=$withval
LDFLAGS=$withval
AC_MSG_RESULT([Using extra library directories: $withval])
)
AC_SUBST(LDFLAGS)
AC_CHECK_PROGS(PERL,perl,perl) AC_SUBST(PERL)
AC_PROG_LATEX
AC_PROG_LATEX2HTML
AC_PROG_DVIPS
AC_PROG_BIBTEX
####
# Check for doxygen and it buddies
####
AC_CHECK_PROGS(DOXYGEN,doxygen,NO)
DOT=yes
AC_ARG_WITH(dot,
[ --with-dot Gives the path to the dot graph generator.],
DOT=$withval
)
DOT_PATH=""
if test X$DOT = Xno; then
HAVE_DOT=NO
elif test X$DOT = Xyes; then
AC_CHECK_PROG(HAVE_DOT,dot,YES,NO)
else
HAVE_DOT=YES
DOT_PATH=$DOT
fi
AC_SUBST(DOT_PATH)
AC_SUBST(HAVE_DOT)
########
## Check for libraries
########
if test ! -z "$F77"; then
AC_F77_LIBRARY_LDFLAGS
dnl --- This just implicitly checks that FLIBS can co-exist with the C++ linker
AC_CHECK_LIB(c,malloc,[],[
FLIBS=
AC_MSG_WARN([F77 libraries don't seem to link with C++ programs])
],
$FLIBS)
fi
AC_ARG_WITH(blas,[ --with-blas which blas library to use],[
case $withval in
yes)
BLAS='-lblas'
;;
no)
BLAS=''
;;
*)
BLAS=$withval
;;
esac
])
AC_ARG_WITH(lapack,[ --with-lapack which lapack library to use],[
case $withval in
yes)
LAPACK='-llapack'
;;
no)
LAPACK=''
;;
*)
LAPACK=" $withval"
;;
esac
])
# Set strings for particular BLAS and LAPACK functions for later testing
case $FC_SYMBOL in
1)
DGEMM_SYMBOL=dgemm
DGEEV_SYMBOL=dgeev
;;
2)
DGEMM_SYMBOL=dgemm_
DGEEV_SYMBOL=dgeev_
;;
3)
DGEMM_SYMBOL=DGEMM
DGEEV_SYMBOL=DGEEV
;;
4)
DGEMM_SYMBOL=DGEMM_
DGEEV_SYMBOL=DGEEV_
;;
esac
SAVE_LIBS=$LIBS
LIBS="$LIBS $CLIBS $FLIBS"
### If the user didn't give us a BLAS lib, see if we can find one
# If we're using the Intel compilers, we prefer MKL as well
if test -z "$BLAS"; then
if test $CC = icc -o $CXX = icpc; then
AC_CHECK_LIB(mkl, $DGEMM_SYMBOL, BLAS="-lmkl")
fi
fi
# Otherwise, run through a list of possibilities
if test -z "$BLAS"; then
AC_CHECK_LIB(essl, $DGEMM_SYMBOL, BLAS="-lessl -lpthread")
fi
if test -z "$BLAS"; then
AC_CHECK_LIB(scs, $DGEMM_SYMBOL, BLAS="-lscs")
fi
if test -z "$BLAS"; then
SAVE_LIBS2=$LIBS
LIBS="-lpthread $LIBS"
AC_CHECK_LIB(goto, $DGEMM_SYMBOL, BLAS="-lgoto -lpthread")
LIBS=$SAVE_LIBS2
fi
if test -z "$BLAS"; then
SAVE_LIBS2=$LIBS
LIBS="-latlas $LIBS"
AC_CHECK_LIB(f77blas, $DGEMM_SYMBOL, BLAS="-lf77blas -latlas")
LIBS=$SAVE_LIBS2
fi
if test -z "$BLAS"; then
AC_CHECK_LIB(mkl, $DGEMM_SYMBOL, BLAS="-lmkl")
fi
if test -z "$BLAS"; then
AC_CHECK_LIB(blas, $DGEMM_SYMBOL, BLAS="-lblas")
fi
if test -z "$BLAS"; then
case $target_vendor in
apple)
BLAS="-altivec -framework vecLib"
AUTOAPPLE="yes"
AC_MSG_RESULT([No BLAS specified and vendor is Apple: Assuming vecLib is available!])
;;
esac
fi
if test -z "$BLAS"; then
AC_MSG_ERROR("Did not find a BLAS library.")
fi
AC_SUBST(BLAS)
AC_MSG_RESULT([BLAS library is $BLAS])
LIBS=$SAVE_LIBS
# Similar checks for LAPACK, except that sometimes BLAS includes LAPACK
# Also note that LAPACK often (always?) depends on BLAS
SAVE_LIBS=$LIBS
LIBS="$BLAS $LIBS $CLIBS $FLIBS"
if test -z "$LAPACK"; then
if test ! -z "$AUTOAPPLE"; then
AC_MSG_RESULT([Assuming vecLib for LAPACK])
LAPACK="$BLAS"
LAPACK_IN_BLAS=yes
else
AC_CHECK_FUNC($DGEEV_SYMBOL,LAPACK_IN_BLAS=yes)
fi
fi
if test -z "$LAPACK_IN_BLAS"; then
if test -z "$LAPACK"; then
if test $CC = icc -o $CXX = icpc; then
# Intel's libmkl_lapack64 contains the double-precision routines
AC_CHECK_LIB(mkl_lapack64,$DGEEV_SYMBOL,LAPACK="-lmkl_lapack64")
fi
fi
if test -z "$LAPACK"; then
AC_CHECK_LIB(lapack,$DGEEV_SYMBOL,LAPACK="-llapack")
fi
if test -z "$LAPACK"; then
AC_MSG_ERROR("Did not find a LAPACK library.");
fi
AC_MSG_RESULT([LAPACK library is $LAPACK])
else
AC_MSG_RESULT([LAPACK library is included in BLAS+LIBS])
fi
AC_SUBST(LAPACK)
LIBS=$SAVE_LIBS
# Check for libcompat.a availability
#case $target_vendor in
# apple)
# AC_CHECK_LIB([compat],[main],[CLIBS="-lcompat $CLIBS"],[AC_MSG_ERROR(Missing libcompat.a: See http://www.opensource.apple.com/ for more information)],[])ac_cv_lib_compat=ac_cv_lib_compat_main
# echo "$CLIBS"
# ;;
#esac
########
## Check for header files
########
# check for header files
AC_CHECK_HEADERS([errno.h fcntl.h unistd.h stdint.h sys/types.h sys/times.h sys/param.h])
# check for C++ headers
AC_CXX_PROCESS_CHECK([cmath],[#include <cmath>],,[HAVE_CMATH=1],[HAVE_CMATH=0])
#CXXDEF="$CXXDEF -DHAVE_CMATH=$HAVE_CMATH"
AC_DEFINE_UNQUOTED(HAVE_CMATH,$HAVE_CMATH)
AC_CXX_PROCESS_CHECK([cstdio],[#include <cstdio>],,[HAVE_CSTDIO=1],[HAVE_CSTDIO=0])
#CXXDEF="$CXXDEF -DHAVE_CSTDIO=$HAVE_CSTDIO"
AC_DEFINE_UNQUOTED(HAVE_CSTDIO,$HAVE_CSTDIO)
AC_CXX_PROCESS_CHECK([cstdlib],[#include <cstdlib>],,[HAVE_CSTDLIB=1],[HAVE_CSTDLIB=0])
#CXXDEF="$CXXDEF -DHAVE_CSTDLIB=$HAVE_CSTDLIB"
AC_DEFINE_UNQUOTED(HAVE_CSTDLIB,$HAVE_CSTDLIB)
AC_CXX_PROCESS_CHECK([cstring],[#include <cstring>],,[HAVE_CSTRING=1],[HAVE_CSTRING=0])
#CXXDEF="$CXXDEF -DHAVE_CSTRING=$HAVE_CSTRING"
AC_DEFINE_UNQUOTED(HAVE_CSTRING,$HAVE_CSTRING)
AC_CXX_PROCESS_CHECK([cstddef],[#include <cstddef>],,[HAVE_CSTDDEF=1],[HAVE_CSTDDEF=0])
#CXXDEF="$CXXDEF -DHAVE_CSTDDEF=$HAVE_CSTDDEF"
AC_DEFINE_UNQUOTED(HAVE_CSTDDEF,$HAVE_CSTDDEF)
####################
# Check for Ruby #
####################
HAVE_RUBY="no"
RUBYINC=""
CHECKRUBY="yes"
AC_ARG_WITH(ruby-include,[ --with-ruby-include where to look for Ruby headers (-Idir1 -Idir2 etc.)],[
case $withval in
yes)
;;
no)
CHECKRUBY="no"
;;
*)
RUBYINC="$withval"
;;
esac
])
if test X$CHECKRUBY = Xyes; then
REF_CPPFLAGS=$CPPFLAGS CPPFLAGS="$REF_CPPFLAGS $RUBYINC"
AC_CHECK_HEADER(ruby.h,[HAVE_RUBY="yes"],[HAVE_RUBY="no"])
CPPFLAGS=$REF_CPPFLAGS
fi
if test X$HAVE_RUBY = Xyes; then
HAVE_RUBY="no"
RUBYLIB="-lruby-static"
CHECKRUBY="yes"
AC_ARG_WITH(ruby-lib,[ --with-ruby-lib which Ruby library to use (-Ldir1 -lruby_red)],[
case $withval in
yes)
;;
no)
CHECKRUBY="no"
;;
*)
RUBYLIB="$withval"
;;
esac
])
if test $CHECKRUBY = yes; then
AC_MSG_CHECKING([for ruby_init])
REF_LIBS=$LIBS LIBS="$RUBYLIB $LIBS"
REF_CPPFLAGS=$CPPFLAGS CPPFLAGS="$REF_CPPFLAGS $RUBYINC"
AC_LINK_IFELSE([
AC_LANG_PROGRAM(
[[#include <ruby.h>
]],
[[
void (*funcptr)() = ruby_init;
funcptr();
]]
),
HAVE_RUBY=yes
AC_MSG_RESULT(yes),
HAVE_RUBY=no
AC_MSG_RESULT(no)
])
LIBS=$REF_LIBS
CPPFLAGS=$REF_CPPFLAGS
fi
fi
#########################################################################
# Special linking flags for psirb, because it loads shared object files #
# This has to do with dlopen being "lazy" by default on Apple, but not #
# on Linux #
#########################################################################
case $target_vendor in
apple)
RUBYLDFLAGS=""
;;
*)
RUBYLDFLAGS="-rdynamic -Wl,-export-dynamic"
;;
esac
AC_SUBST(RUBYLIB)
AC_SUBST(RUBYINC)
AC_SUBST(HAVE_RUBY)
AC_DEFINE_UNQUOTED(HAVE_RUBY,$HAVE_RUBY)
AC_SUBST(RUBYLDFLAGS)
########
## Check for compiler characteristics
########
test -z "$LIBSUF" && LIBSUF=a AC_SUBST(LIBSUF)
test -z "$OBJSUF" && OBJSUF=o AC_SUBST(OBJSUF)
dnl -- check how dependency information is built --
# The GNU compilers work with:
CCDEPENDSUF=none
CXXDEPENDSUF=none
CCDEPENDFLAGS=-M
CXXDEPENDFLAGS=-M
/bin/rm -f depcheck.u depcheck.c depcheck.cc depcheck.o
# Check for an IBM visual age C compiler
echo "#include <stdio.h>" > depcheck.c
$CC $CPPFLAGS $CFLAGS -M depcheck.c > /dev/null 2>&1
if test -f depcheck.u; then
CCDEPENDSUF=u
fi
/bin/rm -f depcheck.u depcheck.c depcheck.cc depcheck.o
# Check for an IBM visual age C++ compiler
echo "#include <iostream>" > depcheck.cc
$CXX $CPPFLAGS $CXXFLAGS -M -E depcheck.cc > /dev/null 2>&1
if test -f depcheck.u; then
CXXDEPENDSUF=u
CXXDEPENDFLAGS="-M -E"
fi
/bin/rm -f depcheck.u depcheck.c depcheck.cc depcheck.o
AC_SUBST(CCDEPENDSUF)
AC_SUBST(CXXDEPENDSUF)
AC_SUBST(CCDEPENDFLAGS)
AC_SUBST(CXXDEPENDFLAGS)
AC_CHECK_DECLS([putenv],[extradef="-DHAVE_DECL_PUTENV=1"])
#CDEF="$CDEF $extradef"
#CXXDEF="$CXXDEF $extradef"
AC_DEFINE_UNQUOTED(HAVE_DECL_PUTENV,1)
AC_CHECK_FUNC(putenv,[extradef="-DHAVE_PUTENV=1"])
#CDEF="$CDEF $extradef"
#CXXDEF="$CXXDEF $extradef"
AC_DEFINE_UNQUOTED(HAVE_PUTENV,1)
AC_CHECK_DECLS([setenv],[extradef="-DHAVE_DECL_SETENV=1"])
#CDEF="$CDEF $extradef"
#CXXDEF="$CXXDEF $extradef"
AC_DEFINE_UNQUOTED(HAVE_DECL_SETENV,1)
AC_CHECK_FUNC(setenv,[extradef="-DHAVE_SETENV=1"])
#CDEF="$CDEF $extradef"
#CXXDEF="$CXXDEF $extradef"
AC_DEFINE_UNQUOTED(HAVE_SETENV,1)
#AC_CHECK_LIB(m,isinf,[extradef="-DHAVE_FUNC_ISINF=1"],[extradef=""])
AC_CHECK_LIB(m,isinf,[AC_DEFINE_UNQUOTED(HAVE_FUNC_ISINF,1)],[
AC_CHECK_LIB(m,finite,[AC_DEFINE_UNQUOTED(HAVE_FUNC_FINITE,1)],[
AC_MSG_ERROR([Did not find isinf() or finite() functions.])
])
])
#if test X$extradef = X; then
# AC_CHECK_LIB(m,finite,[AC_DEFINE_UNQUOTED(HAVE_FUNC_FINITE,1)],[extradef=""])
#fi
#if test X$extradef = X; then
# AC_MSG_ERROR([Did not find isinf() or finite() functions.])
#else
#CDEF="$CDEF $extradef"
#CXXDEF="$CXXDEF $extradef"
#fi
dnl ------------------- Determine Compiler Flags --------------------
# User's input overrides all defaults
# Defaults depend on the compiler and the architecture
AC_MSG_RESULT([-------------------------------------------------------------------------------])
# default is to optimize with -O2, no debugging symbols will be generated
PSICPPFLAGS='-I. -I$(objincdir) -I$(top_srcdir)/include -I$(top_srcdir)/src/lib -I$(top_objdir)/src/lib' AC_SUBST(PSICPPFLAGS)
CDBG='' AC_SUBST(CDBG)
COPT='-O2' AC_SUBST(COPT)
AC_SUBST(CDEF)
COTH='' AC_SUBST(COTH)
CINC='$(CPPFLAGS) $(PSICPPFLAGS)' AC_SUBST(CINC)
CXXDBG='' AC_SUBST(CXXDBG)
CXXOPT='-O2' AC_SUBST(CXXOPT)
AC_SUBST(CXXDEF)
CXXOTH='' AC_SUBST(CXXOTH)
CXXINC='$(CPPFLAGS) $(PSICPPFLAGS)' AC_SUBST(CXXINC)
# Check user's input
# The default is to optimize. --with-opt=no or --without-opt will turn
# off optimization.
OPTFLAGS_GIVEN=no
AC_ARG_WITH(opt,[ --with-opt Specifies the C++/C optimization compiler flags.
--with-opt=no means no optimization],[
case $withval in
no)
COPT=''
CXXOPT=''
OPTFLAGS_GIVEN=yes
;;
*)
COPT="$withval"
CXXOPT="$withval"
OPTFLAGS_GIVEN=yes
;;
esac
])
if test X$OPTFLAGS_GIVEN = Xyes; then
AC_MSG_RESULT([C++ optimization flags : $CXXOPT])
fi
# if not given by the user, use architecture-dependent defaults
if test X$OPTFLAGS_GIVEN = Xno; then
case $target_cpu in
rs6000)
if test "$CC" = xlc_r -o "$CC" = cc_r ; then
COPT="-O3 -qhot -qstrict -qarch=auto -qtune=auto -qmaxmem=-1"
fi
if test "$CXX" = xlC_r ; then
CXXOPT="-O3 -qhot -qstrict -qarch=auto -qtune=auto -qmaxmem=-1"
fi
;;
powerpc)
if test "$CC" = xlc_r -o "$CC" = cc_r ; then
COPT="-O3 -qhot -qstrict -qarch=auto -qtune=auto -qmaxmem=-1"
fi
if test "$CXX" = xlC_r ; then
CXXOPT="-O3 -qhot -qstrict -qarch=auto -qtune=auto -qmaxmem=-1"
LDLIBS="$LDLIBS $FLIBS"
fi
if test "$CXX" = g++ ; then
CXXOPT="-O3"
LDLIBS="$LDLIBS $FLIBS"
fi
;;
x86_64)
if test "$CC" = gcc -o "$CC" = cc ; then
COPT="-O3 -m64"
fi
if test "$CXX" = g++ -o "$CXX" = c++ -o "$CXX" = gcc ; then
CXXOPT="-O3 -m64"
fi
;;
esac
AC_MSG_RESULT([C++ optimization flags : $CXXOPT])
fi
case $target_os in
aix*)
# _ALL_SOURCE is required because some include files on AIX don't seem to work with pure POSIX
# Removed -D_LARGE_FILE
EXTRADEFS="-D_ALL_SOURCE"
CDEF="$CDEF $EXTRADEFS"
CXXDEF="$CXXDEF $EXTRADEFS"
;;
linux*)
EXTRADEFS="-DLinux -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE"
CDEF="$CDEF $EXTRADEFS"
CXXDEF="$CXXDEF $EXTRADEFS"
;;
esac
AC_MSG_RESULT([extra preprocessor defines : $CXXDEF])
# Obtain the debug flags.
# The default is to not debug. --with-debug will turn on debugging.
AC_ARG_WITH(debug,[ --with-debug will turn on debugging],[
case $withval in
yes)
CDBG='-g'
CXXDBG='-g'
;;
no)
CDBG=''
CXXDBG=''
;;
*)
CDBG="$withval"
CXXDBG="$withval"
;;
esac
])
AC_MSG_RESULT([debugging C++ compiler flags : $CXXDBG])
# Adjust the flags dealing with strictness of the compilers.
# The default is to disable strict language checks. --with-opt=no or
# --without-opt will turn off optimization.
AC_ARG_WITH(strict,[ --with-strict --with-strict=yes to turn on strict compiler warnings],[
case $withval in
yes)
# "Strict" flags only known for GNU compilers
if test "$GCC" = yes ; then
COTH="$COTH -Wall -ansi"
fi
if test "$GXX" = yes ; then
CXXOTH="$CXXOTH -Wall -ansi"
fi
;;
no)
;;
esac
])
AC_MSG_RESULT([misc C++ compiler flags : $CXXOTH])
CFLAGS='$(CDBG) $(COPT) $(CDEF) $(COTH) $(CINC)' AC_SUBST(CFLAGS)
CXXFLAGS='$(CXXDBG) $(CXXOPT) $(CXXDEF) $(CXXOTH) $(CXXINC)' AC_SUBST(CXXFLAGS)
if test X$AIX64 = Xyes; then
if test X$CXX = Xg++; then
COTH="$COTH -maix64"
CXXOTH="$CXXOTH -maix64"
F77FLAGS="$F77FLAGS -maix64"
LDFLAGS="$LDFLAGS -maix64"
LDLIBS="$LAPACK $BLAS $LDLIBS"
fi
fi
AC_MSG_RESULT([-------------------------------------------------------------------------------])
########
## Output
########
AC_CONFIG_FILES([include/Makefile
include/chkpt_params.h
Makefile lib/Makefile lib/ruby/Makefile src/Makefile
src/lib/Makefile src/lib/MakeRules src/lib/MakeVars
src/util/Makefile src/util/MakeRules src/util/MakeVars
src/bin/Makefile src/bin/MakeRules src/bin/MakeVars
doc/MakeVars doc/MakeRules doc/Makefile
doc/macros.tex doc/progman/svn.eps
doc/installation/Makefile
doc/progman/Makefile doc/userman/Makefile
doc/userman/prsty.bst
doc/doxygen/Makefile
doc/doxygen/doxygen.cfg
src/lib/libdpd/Makefile
src/lib/libiwl/Makefile
src/lib/libpsio/Makefile
src/lib/libqt/Makefile
src/lib/libbasis/Makefile
src/lib/libciomr/Makefile
src/lib/libipv1/Makefile
src/lib/libchkpt/Makefile
src/lib/libderiv/Makefile
src/lib/libderiv/MakeVars
src/lib/libderiv/libderiv_config.h
src/lib/libint/Makefile
src/lib/libint/MakeVars
src/lib/libint/libint_config.h
src/lib/libr12/Makefile
src/lib/libr12/MakeVars
src/lib/libr12/libr12_config.h
src/lib/libutil/Makefile
src/lib/liboptions/Makefile
src/lib/libmoinfo/Makefile
src/lib/libmints/Makefile
src/util/tocprint/Makefile
src/util/psi2molden/Makefile
src/bin/cphf/Makefile
src/bin/psi3/Makefile
src/bin/ccdensity/Makefile
src/bin/ccenergy/Makefile
src/bin/cchbar/Makefile
src/bin/cclambda/Makefile
src/bin/ccsort/Makefile
src/bin/cctriples/Makefile
src/bin/cceom/Makefile
src/bin/ccresponse/Makefile
src/bin/cints/Makefile
src/bin/cis/Makefile
src/bin/clag/Makefile
src/bin/cscf/Makefile
src/bin/detci/Makefile
src/bin/detcas/Makefile
src/bin/detcasman/Makefile
src/bin/extrema/Makefile
src/bin/geom/Makefile
src/bin/input/Makefile
src/bin/intder/Makefile
src/bin/mcscf/Makefile
src/bin/mp2/Makefile
src/bin/mp2r12/Makefile
src/bin/oeprop/Makefile
src/bin/optking/Makefile
src/bin/psiclean/Makefile
src/bin/transqt/Makefile
src/bin/transqt2/Makefile
src/bin/mvo/Makefile
src/bin/dboc/Makefile
src/bin/cusp/Makefile
src/bin/mocube/Makefile
src/bin/localize/Makefile
src/bin/stable/Makefile
src/bin/response/Makefile
src/bin/psirb/Makefile
src/bin/psimrcc/Makefile
src/bin/nonbonded/Makefile
src/bin/thermo/Makefile
src/bin/df-mp2/Makefile
src/bin/scf/Makefile
tests/Makefile
tests/MakeVars
tests/MakeRules
tests/runtest.pl
tests/scf-opt/Makefile
tests/scf-opt-fragments/Makefile
tests/mp2-opt-fragments/Makefile
tests/scf-opt2/Makefile
tests/scf-opt3/Makefile
tests/scf-opt4/Makefile
tests/scf-opt5/Makefile
tests/scf-opt6/Makefile
tests/scf-opt7/Makefile
tests/scf-opt9/Makefile
tests/scf-opt10/Makefile
tests/scf-opt11/Makefile
tests/scf-opt12/Makefile
tests/scf-opt13/Makefile
tests/scf-opt14/Makefile
tests/scf-opt-numer/Makefile
tests/scf-opt2-numer/Makefile
tests/scf-freq/Makefile
tests/scf-freq-first-3/Makefile
tests/scf-freq-first-3a/Makefile
tests/scf-freq-first-5/Makefile
tests/scf-freq-first-5a/Makefile
tests/scf-freq-none-3/Makefile
tests/scf-freq-none-5/Makefile
tests/scf-symm-fc-numer/Makefile
tests/scf-fc-numer/Makefile
tests/scf-polar/Makefile
tests/rhf-oeprop/Makefile
tests/rhf-stab/Makefile
tests/rhf-stab/rhf-stab.pl
tests/uhf-stab/Makefile
tests/uhf-stab/uhf-stab.pl
tests/rohf-stab/Makefile
tests/rohf-stab/rohf-stab.pl
tests/cis-sp/Makefile
tests/cisd-h2o+-0/Makefile
tests/cisd-h2o+-1/Makefile
tests/cisd-h2o+-2/Makefile
tests/cisd-sp/Makefile
tests/cisd-sp-2/Makefile
tests/cisd-opt-numer/Makefile
tests/fci-h2o/Makefile
tests/fci-h2o-2/Makefile
tests/fci-h2o-clpse/Makefile
tests/fci-h2o-fzcv/Makefile
tests/fci-dipole/Makefile
tests/fci-trans/Makefile
tests/casscf-sp/Makefile
tests/casscf-sa-sp/Makefile
tests/casscf-fzc-sp/Makefile
tests/rasscf-sp/Makefile
tests/casscf-opt-numer/Makefile
tests/casscf-opt/Makefile
tests/zaptn-nh2/Makefile
tests/mp2-sp/Makefile
tests/mp2-direct-sp/Makefile
tests/mp2-oeprop/Makefile
tests/mp2-scs/Makefile
tests/cc1/Makefile
tests/cc2/Makefile
tests/cc3/Makefile
tests/cc4/Makefile
tests/cc5/Makefile
tests/cc6/Makefile
tests/cc7/Makefile
tests/cc8/Makefile
tests/cc8a/Makefile
tests/cc8b/Makefile
tests/cc8c/Makefile
tests/cc9/Makefile
tests/cc9a/Makefile
tests/cc10/Makefile
tests/cc11/Makefile
tests/cc12/Makefile
tests/cc13/Makefile
tests/cc13a/Makefile
tests/cc14/Makefile
tests/cc15/Makefile
tests/cc16/Makefile
tests/cc17/Makefile
tests/cc18/Makefile
tests/cc19/Makefile
tests/cc21/Makefile
tests/cc22/Makefile
tests/cc23/Makefile
tests/cc24/Makefile
tests/cc25/Makefile
tests/cc26/Makefile
tests/cc27/Makefile
tests/cc28/Makefile
tests/cc29/Makefile
tests/cc30/Makefile
tests/cc31/Makefile
tests/cc32/Makefile
tests/cc33/Makefile
tests/cc34/Makefile
tests/cc35/Makefile
tests/cc36/Makefile
tests/cc37/Makefile
tests/cc38/Makefile