diff --git a/autoconf/configure b/autoconf/configure
index 256b35f6657b3a293d0e101df122ff74b78e4297..0888d6fb3e80c3ca25b5849651a9059104f7a662 100755
--- a/autoconf/configure
+++ b/autoconf/configure
@@ -687,10 +687,16 @@ ac_user_opts='
enable_option_checking
enable_debug
enable_fussy
-enable_external_lapack
enable_debug_glibcxx
enable_shared
enable_cxx_exceptions
+enable_mpi
+enable_external_lapack
+enable_matheval
+enable_clock_gettime
+enable_cregex
+enable_dlopen
+enable_execinfo
'
ac_precious_vars='build_alias
host_alias
@@ -1317,11 +1323,17 @@ Optional Features:
--enable-FEATURE[=ARG] include FEATURE [ARG=yes]
--enable-debug enable debugging, default: no
--enable-fussy enable fussy warnings, default: no
- --enable-external-lapack
- enable search for external lapack, default: yes
--enable-debug-glibcxx enable enable boundary check, default: no
--enable-shared enable shared libs, default: yes
--enable-cxx-exceptions enable c++ exceptions, default: no
+ --enable-mpi enable search for mpi, default: yes
+ --enable-external-lapack
+ enable search for external lapack, default: yes
+ --enable-matheval enable search for matheval, default: yes
+ --enable-clock-gettime enable search for gettime, default: yes
+ --enable-cregex enable search for C regular expression, default: yes
+ --enable-dlopen enable search for dlopen, default: yes
+ --enable-execinfo enable search for execinfo, default: yes
Some influential environment variables:
CXX C++ compiler command
@@ -2252,24 +2264,6 @@ fi
-external_lapack=
-# Check whether --enable-external-lapack was given.
-if test "${enable_external_lapack+set}" = set; then :
- enableval=$enable_external_lapack; case "${enableval}" in
- (yes) external_lapack=true ;;
- (no) external_lapack=false ;;
- (*) as_fn_error $? "wrong argument to --enable-external-lapack" "$LINENO" 5 ;;
- esac
-else
- case "yes" in
- (yes) external_lapack=true ;;
- (no) external_lapack=false ;;
- esac
-
-fi
-
-
-
debug_glibcxx=
# Check whether --enable-debug-glibcxx was given.
if test "${enable_debug_glibcxx+set}" = set; then :
@@ -2324,6 +2318,133 @@ fi
+mpi=
+# Check whether --enable-mpi was given.
+if test "${enable_mpi+set}" = set; then :
+ enableval=$enable_mpi; case "${enableval}" in
+ (yes) mpi=true ;;
+ (no) mpi=false ;;
+ (*) as_fn_error $? "wrong argument to --enable-mpi" "$LINENO" 5 ;;
+ esac
+else
+ case "yes" in
+ (yes) mpi=true ;;
+ (no) mpi=false ;;
+ esac
+
+fi
+
+
+
+external_lapack=
+# Check whether --enable-external-lapack was given.
+if test "${enable_external_lapack+set}" = set; then :
+ enableval=$enable_external_lapack; case "${enableval}" in
+ (yes) external_lapack=true ;;
+ (no) external_lapack=false ;;
+ (*) as_fn_error $? "wrong argument to --enable-external-lapack" "$LINENO" 5 ;;
+ esac
+else
+ case "yes" in
+ (yes) external_lapack=true ;;
+ (no) external_lapack=false ;;
+ esac
+
+fi
+
+
+
+matheval=
+# Check whether --enable-matheval was given.
+if test "${enable_matheval+set}" = set; then :
+ enableval=$enable_matheval; case "${enableval}" in
+ (yes) matheval=true ;;
+ (no) matheval=false ;;
+ (*) as_fn_error $? "wrong argument to --enable-matheval" "$LINENO" 5 ;;
+ esac
+else
+ case "yes" in
+ (yes) matheval=true ;;
+ (no) matheval=false ;;
+ esac
+
+fi
+
+
+
+clock_gettime=
+# Check whether --enable-clock-gettime was given.
+if test "${enable_clock_gettime+set}" = set; then :
+ enableval=$enable_clock_gettime; case "${enableval}" in
+ (yes) clock_gettime=true ;;
+ (no) clock_gettime=false ;;
+ (*) as_fn_error $? "wrong argument to --enable-clock-gettime" "$LINENO" 5 ;;
+ esac
+else
+ case "yes" in
+ (yes) clock_gettime=true ;;
+ (no) clock_gettime=false ;;
+ esac
+
+fi
+
+
+
+cregex=
+# Check whether --enable-cregex was given.
+if test "${enable_cregex+set}" = set; then :
+ enableval=$enable_cregex; case "${enableval}" in
+ (yes) cregex=true ;;
+ (no) cregex=false ;;
+ (*) as_fn_error $? "wrong argument to --enable-cregex" "$LINENO" 5 ;;
+ esac
+else
+ case "yes" in
+ (yes) cregex=true ;;
+ (no) cregex=false ;;
+ esac
+
+fi
+
+
+
+dlopen=
+# Check whether --enable-dlopen was given.
+if test "${enable_dlopen+set}" = set; then :
+ enableval=$enable_dlopen; case "${enableval}" in
+ (yes) dlopen=true ;;
+ (no) dlopen=false ;;
+ (*) as_fn_error $? "wrong argument to --enable-dlopen" "$LINENO" 5 ;;
+ esac
+else
+ case "yes" in
+ (yes) dlopen=true ;;
+ (no) dlopen=false ;;
+ esac
+
+fi
+
+
+
+execinfo=
+# Check whether --enable-execinfo was given.
+if test "${enable_execinfo+set}" = set; then :
+ enableval=$enable_execinfo; case "${enableval}" in
+ (yes) execinfo=true ;;
+ (no) execinfo=false ;;
+ (*) as_fn_error $? "wrong argument to --enable-execinfo" "$LINENO" 5 ;;
+ esac
+else
+ case "yes" in
+ (yes) execinfo=true ;;
+ (no) execinfo=false ;;
+ esac
+
+fi
+
+
+
+
# by default use -O flag
# we override the autoconf default (-g) because in release build we do not want to
# include symbol information (obj files are huge)
@@ -2332,7 +2453,18 @@ then
CXXFLAGS=-O
fi
-# setup C/C++ compilers
+# this is list if copied from a generated ./configure script
+# the reason why I put it here explicitly is that I want a
+# correct fallback list to be searched after preferred choices
+# (e.g. MPI) have been checked.
+compilers="g++ cxx gpp aCC CC cxx cc++ cl.exe FCC KCC RCC xlC_r xlC"
+
+# if searching for MPI, try first mpi-like compilers
+if test $mpi == true ; then
+compilers="mpic++ mpicxx openmpic++ openmpicxx $compilers"
+fi
+
+# do the actual search
ac_ext=cpp
ac_cpp='$CXXCPP $CPPFLAGS'
ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5'
@@ -2343,7 +2475,7 @@ if test -z "$CXX"; then
CXX=$CCC
else
if test -n "$ac_tool_prefix"; then
- for ac_prog in g++ c++ gpp aCC CC cxx cc++ cl.exe FCC KCC RCC xlC_r xlC
+ for ac_prog in $compilers
do
# Extract the first word of "$ac_tool_prefix$ac_prog", so it can be a program name with args.
set dummy $ac_tool_prefix$ac_prog; ac_word=$2
@@ -2387,7 +2519,7 @@ fi
fi
if test -z "$CXX"; then
ac_ct_CXX=$CXX
- for ac_prog in g++ c++ gpp aCC CC cxx cc++ cl.exe FCC KCC RCC xlC_r xlC
+ for ac_prog in $compilers
do
# Extract the first word of "$ac_prog", so it can be a program name with args.
set dummy $ac_prog; ac_word=$2
@@ -2840,6 +2972,8 @@ ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
ac_link='$CC -o conftest$ac_exeext $CFLAGS $CPPFLAGS $LDFLAGS conftest.$ac_ext $LIBS >&5'
ac_compiler_gnu=$ac_cv_c_compiler_gnu
+
+# for c, the standard list is used
ac_ext=c
ac_cpp='$CPP $CPPFLAGS'
ac_compile='$CC -c $CFLAGS $CPPFLAGS conftest.$ac_ext >&5'
@@ -4685,6 +4819,28 @@ fi
# optional libraries follow
+if test $mpi == true ; then
+
+ found=ko
+ ac_fn_cxx_check_header_mongrel "$LINENO" "mpi.h" "ac_cv_header_mpi_h" "$ac_includes_default"
+if test "x$ac_cv_header_mpi_h" = xyes; then :
+
+ ac_fn_cxx_check_func "$LINENO" "MPI_Init" "ac_cv_func_MPI_Init"
+if test "x$ac_cv_func_MPI_Init" = xyes; then :
+ found=ok
+fi
+
+
+fi
+
+
+ if test $found == ok ; then
+ $as_echo "#define __PLUMED_MPI 1" >>confdefs.h
+
+ fi
+
+fi
+if test $matheval == true ; then
found=ko
ac_fn_cxx_check_header_mongrel "$LINENO" "matheval.h" "ac_cv_header_matheval_h" "$ac_includes_default"
@@ -4746,6 +4902,8 @@ fi
fi
+fi
+if test $clock_gettime == true ; then
found=ko
ac_fn_cxx_check_header_mongrel "$LINENO" "time.h" "ac_cv_header_time_h" "$ac_includes_default"
@@ -4807,25 +4965,8 @@ fi
fi
-
- found=ko
- ac_fn_cxx_check_header_mongrel "$LINENO" "mpi.h" "ac_cv_header_mpi_h" "$ac_includes_default"
-if test "x$ac_cv_header_mpi_h" = xyes; then :
-
- ac_fn_cxx_check_func "$LINENO" "MPI_Init" "ac_cv_func_MPI_Init"
-if test "x$ac_cv_func_MPI_Init" = xyes; then :
- found=ok
fi
-
-
-fi
-
-
- if test $found == ok ; then
- $as_echo "#define __PLUMED_MPI 1" >>confdefs.h
-
- fi
-
+if test $cregex == true ; then
found=ko
ac_fn_cxx_check_header_mongrel "$LINENO" "regex.h" "ac_cv_header_regex_h" "$ac_includes_default"
@@ -4845,6 +4986,8 @@ fi
fi
+fi
+if test $dlopen == true ; then
found=ko
ac_fn_cxx_check_header_mongrel "$LINENO" "dlfcn.h" "ac_cv_header_dlfcn_h" "$ac_includes_default"
@@ -4864,6 +5007,8 @@ fi
fi
+fi
+if test $execinfo == true ; then
found=ko
ac_fn_cxx_check_header_mongrel "$LINENO" "execinfo.h" "ac_cv_header_execinfo_h" "$ac_includes_default"
@@ -4883,6 +5028,7 @@ fi
fi
+fi
# molfile:
save_LIBS="$LIBS"
diff --git a/autoconf/configure.ac b/autoconf/configure.ac
index 0bd1c8c2facd5fc135253d8f53de9e57c220d14d..94f4a7a11ca394f063f1dbb1b904cb0c7aa2278c 100644
--- a/autoconf/configure.ac
+++ b/autoconf/configure.ac
@@ -60,10 +60,17 @@ AC_DEFUN([PLUMED_CHECK_PACKAGE], [
# set enable flags for ./configure
PLUMED_CONFIG_ENABLE([debug],[debug],[debugging],[no])
PLUMED_CONFIG_ENABLE([fussy],[fussy],[fussy warnings],[no])
-PLUMED_CONFIG_ENABLE([external_lapack],[external-lapack],[search for external lapack],[yes])
PLUMED_CONFIG_ENABLE([debug_glibcxx],[debug-glibcxx],[enable boundary check],[no])
PLUMED_CONFIG_ENABLE([shared],[shared],[shared libs],[yes])
PLUMED_CONFIG_ENABLE([cxx_exceptions],[cxx-exceptions],[c++ exceptions],[no])
+PLUMED_CONFIG_ENABLE([mpi],[mpi],[search for mpi],[yes])
+PLUMED_CONFIG_ENABLE([external_lapack],[external-lapack],[search for external lapack],[yes])
+PLUMED_CONFIG_ENABLE([matheval],[matheval],[search for matheval],[yes])
+PLUMED_CONFIG_ENABLE([clock_gettime],[clock-gettime],[search for gettime],[yes])
+PLUMED_CONFIG_ENABLE([cregex],[cregex],[search for C regular expression],[yes])
+PLUMED_CONFIG_ENABLE([dlopen],[dlopen],[search for dlopen],[yes])
+PLUMED_CONFIG_ENABLE([execinfo],[execinfo],[search for execinfo],[yes])
+
# by default use -O flag
# we override the autoconf default (-g) because in release build we do not want to
@@ -73,8 +80,21 @@ then
CXXFLAGS=-O
fi
-# setup C/C++ compilers
-AC_PROG_CXX
+# this is list if copied from a generated ./configure script
+# the reason why I put it here explicitly is that I want a
+# correct fallback list to be searched after preferred choices
+# (e.g. MPI) have been checked.
+compilers="g++ cxx gpp aCC CC cxx cc++ cl.exe FCC KCC RCC xlC_r xlC"
+
+# if searching for MPI, try first mpi-like compilers
+if test $mpi == true ; then
+compilers="mpic++ mpicxx openmpic++ openmpicxx $compilers"
+fi
+
+# do the actual search
+AC_PROG_CXX([$compilers])
+
+# for c, the standard list is used
AC_PROG_CC
# also setup Fortran compiler
@@ -180,12 +200,24 @@ AC_MSG_NOTICE([Now we will check for optional headers and libraries])
AC_CHECK_LIB([dl],dlopen, [STATIC_LIBS="-ldl $STATIC_LIBS"] [LIBS="-ldl $LIBS"])
# optional libraries follow
-PLUMED_CHECK_PACKAGE([matheval.h],[evaluator_create],[__PLUMED_HAS_MATHEVAL],[matheval])
-PLUMED_CHECK_PACKAGE([time.h],[clock_gettime],[__PLUMED_HAS_CLOCK_GETTIME],[rt])
-PLUMED_CHECK_PACKAGE([mpi.h],[MPI_Init],[__PLUMED_MPI])
-PLUMED_CHECK_PACKAGE([regex.h],[regcomp],[__PLUMED_HAS_CREGEX])
-PLUMED_CHECK_PACKAGE([dlfcn.h],[dlopen],[__PLUMED_HAS_DLOPEN])
-PLUMED_CHECK_PACKAGE([execinfo.h],[backtrace],[__PLUMED_HAS_EXECINFO])
+if test $mpi == true ; then
+ PLUMED_CHECK_PACKAGE([mpi.h],[MPI_Init],[__PLUMED_MPI])
+fi
+if test $matheval == true ; then
+ PLUMED_CHECK_PACKAGE([matheval.h],[evaluator_create],[__PLUMED_HAS_MATHEVAL],[matheval])
+fi
+if test $clock_gettime == true ; then
+ PLUMED_CHECK_PACKAGE([time.h],[clock_gettime],[__PLUMED_HAS_CLOCK_GETTIME],[rt])
+fi
+if test $cregex == true ; then
+ PLUMED_CHECK_PACKAGE([regex.h],[regcomp],[__PLUMED_HAS_CREGEX])
+fi
+if test $dlopen == true ; then
+ PLUMED_CHECK_PACKAGE([dlfcn.h],[dlopen],[__PLUMED_HAS_DLOPEN])
+fi
+if test $execinfo == true ; then
+ PLUMED_CHECK_PACKAGE([execinfo.h],[backtrace],[__PLUMED_HAS_EXECINFO])
+fi
# molfile:
save_LIBS="$LIBS"