1 |
|
dnl **** Process this file with autoconf to produce a configure script. |
2 |
|
|
3 |
< |
AC_INIT(src/oopse.cpp) |
3 |
> |
AC_INIT(OOPSE, 1.0, gezelter@nd.edu, oopse) |
4 |
|
AC_CONFIG_AUX_DIR(ac-tools) |
5 |
|
|
6 |
< |
AC_PREFIX_DEFAULT("/usr/local") |
7 |
< |
|
6 |
> |
builtin(include, ac-tools/fortran90.m4) |
7 |
|
builtin(include, ac-tools/aclocal.m4) |
8 |
|
|
10 |
– |
AC_PROG_RANLIB |
11 |
– |
AC_PROG_LN_S |
12 |
– |
AC_PROG_YACC |
13 |
– |
AC_PROG_LEX |
9 |
|
|
10 |
< |
AC_SUBST(EXEEXT) |
16 |
< |
AC_SUBST(OBJEXT) |
17 |
< |
AC_SUBST(BATEXT) |
10 |
> |
AC_CONFIG_SRCDIR([src/oopse.cpp]) |
11 |
|
|
12 |
< |
AC_SUBST(MKINSTALLDIRS) |
12 |
> |
AC_PREFIX_DEFAULT("/usr/local") |
13 |
|
|
14 |
< |
AC_SUBST(OOPSE) |
22 |
< |
AC_SUBST(OOPSE_HOME) |
23 |
< |
AC_SUBST(sprng_libdir) |
24 |
< |
AC_SUBST(mpich_libdir) |
25 |
< |
AC_SUBST(sprng_include) |
26 |
< |
AC_SUBST(mpich_include) |
27 |
< |
AC_SUBST(mpi_f90_mods) |
28 |
< |
AC_SUBST(SUBDIRS) |
14 |
> |
# what should I build? |
15 |
|
|
16 |
< |
OOPSE=oopse |
16 |
> |
AC_ARG_ENABLE(debug, AC_HELP_STRING([--enable-debug], [Compile OOPSE in debug mode]), [DEBUG=1]) |
17 |
|
|
18 |
< |
dnl **** define home dir of oopse |
19 |
< |
if test "x${prefix}" = "xNONE" |
20 |
< |
then |
21 |
< |
OOPSE_HOME=${ac_default_prefix}/oopse |
22 |
< |
else |
23 |
< |
OOPSE_HOME=${prefix}/oopse |
18 |
> |
# set program name |
19 |
> |
PROGNAME="oopse" |
20 |
> |
AC_SUBST(PROGNAME) |
21 |
> |
|
22 |
> |
if test "${DEBUG}"; then |
23 |
> |
AC_DEFINE(DEBUG, 1, [Code compiled in debug mode]) |
24 |
> |
msg="$msg, debug mode" |
25 |
|
fi |
26 |
< |
AC_ARG_ENABLE(oopse-home, |
40 |
< |
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
41 |
< |
[OOPSE_HOME="${enableval}"]) |
26 |
> |
AC_SUBST(DEBUG) |
27 |
|
|
28 |
< |
dnl **** define C compiler |
29 |
< |
CC=${CC-icc} |
45 |
< |
AC_ARG_WITH(cc, |
46 |
< |
[ --with-cc=PROG use PROG as C compiler [${CC-icc}]], |
47 |
< |
[CC="${withval}"]) |
48 |
< |
AC_PROG_CC([icc gcc cc]) |
28 |
> |
# who am i |
29 |
> |
AC_CANONICAL_HOST |
30 |
|
|
31 |
< |
dnl **** define C compiler |
32 |
< |
CXX=${CXX-icc} |
33 |
< |
AC_ARG_WITH(cxx, |
34 |
< |
[ --with-cxx=PROG use PROG as C++ compiler [${CXX-icc}]], |
35 |
< |
[CXX="${withval}"]) |
36 |
< |
AC_PROG_CXX([icc g++ c++]) |
31 |
> |
dnl Checks for programs. |
32 |
> |
AC_PROG_CC([icc xlc gcc cc]) |
33 |
> |
ACX_PROG_CC_MAXOPT |
34 |
> |
AC_PROG_CXX([icpc icc xlC g++ c++]) |
35 |
> |
ACX_PROG_CXX_MAXOPT |
36 |
> |
AC_PROG_F90([ifc f90 xlf90 pgf90 epcf90 f95 xlf95 lf95 fort g95]) |
37 |
> |
ACX_PROG_F90_MAXOPT |
38 |
> |
ACX_PROG_F90_PREPFLAG |
39 |
> |
ACX_PROG_F90_PREPDEFFLAG |
40 |
> |
AC_PROG_INSTALL |
41 |
> |
AC_PROG_LN_S |
42 |
> |
AC_PROG_MAKE_SET |
43 |
> |
AC_PROG_RANLIB |
44 |
> |
AC_PROG_YACC |
45 |
> |
AC_PROG_LEX |
46 |
> |
AC_CHECK_PROG(AR, ar, ar, NONE) |
47 |
> |
if test "$AR" = "NONE"; then |
48 |
> |
AC_MSG_ERROR(--> Can't find \`ar'!) |
49 |
> |
AC_CACHE_SAVE |
50 |
> |
exit 1 |
51 |
> |
fi |
52 |
|
|
53 |
< |
dnl **** define Fortran compiler |
54 |
< |
F77=${F77-ifc} |
55 |
< |
AC_ARG_WITH(f77, |
56 |
< |
[ --with-f77=PROG use PROG as Fortran compiler [${F77-ifc}]], |
57 |
< |
[F77="${withval}"]) |
58 |
< |
AC_PROG_F77([ifc f90]) |
53 |
> |
AC_LANG_PUSH(Fortran 90) |
54 |
> |
AC_LANG_PREPROC(Fortran 90) |
55 |
> |
AC_F90_LIBRARY_LDFLAGS |
56 |
> |
dnl how Fortran mangles function names |
57 |
> |
AC_F90_WRAPPERS |
58 |
> |
AC_SUBST(F90_FUNC) |
59 |
> |
AC_SUBST(F90_FUNC_) |
60 |
|
|
61 |
< |
dnl **** check if user wants to compile with debugging support |
62 |
< |
AC_ARG_ENABLE(debug, |
63 |
< |
[ --enable-debug turn on debugging [no]], |
64 |
< |
[case "${enableval}" in |
65 |
< |
yes) debug=true ;; |
66 |
< |
no) debug=false ;; |
70 |
< |
*) AC_MSG_ERROR(bad value ${enableval} for --enable-debug) ;; |
71 |
< |
esac],[debug=false]) |
61 |
> |
AC_MSG_CHECKING([for mpi-directory]) |
62 |
> |
AC_ARG_WITH(MPI_DIR, |
63 |
> |
[ --with-mpi-dir=MPIDIR give the path for MPI [/usr/local]], |
64 |
> |
MPI_DIR="$withval", MPI_DIR="/usr/local") |
65 |
> |
AC_MSG_RESULT([$MPI_DIR]) |
66 |
> |
AC_SUBST([MPI_DIR]) |
67 |
|
|
68 |
+ |
AC_MSG_CHECKING([for mpi-lib-directory]) |
69 |
+ |
AC_ARG_WITH(MPI_LIBDIR, |
70 |
+ |
[ --with-mpi-lib-dir=dir give the path for MPI-libraries [MPI_DIR/lib]], |
71 |
+ |
MPI_LIBDIR="$withval", MPI_LIBDIR="$MPI_DIR/lib") |
72 |
+ |
AC_MSG_RESULT([$MPI_LIBDIR]) |
73 |
+ |
AC_SUBST([MPI_LIBDIR]) |
74 |
|
|
75 |
< |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
76 |
< |
CFLAGS=${CFLAGS-""} |
77 |
< |
FFLAGS=${FFLAGS-""} |
78 |
< |
LDFLAGS=${LDFLAGS-""} |
79 |
< |
OPTIMIZE=${OPTIMIZE-""} |
80 |
< |
DEBUG=${DEBUG-""} |
75 |
> |
AC_MSG_CHECKING([for mpi-inc-directory]) |
76 |
> |
AC_ARG_WITH(MPI_INC, |
77 |
> |
[ --with-mpi-inc-dir=dir give the path for MPI-include-files [MPI_DIR/include]], |
78 |
> |
MPI_INC="$withval", MPI_INC="$MPI_DIR/include") |
79 |
> |
AC_MSG_RESULT([$MPI_INC]) |
80 |
> |
AC_SUBST([MPI_INC]) |
81 |
|
|
82 |
|
|
83 |
< |
dnl **** Check for host type |
84 |
< |
AC_CANONICAL_HOST |
83 |
> |
AC_MSG_CHECKING([for MPI library]) |
84 |
> |
MPI_LIB="" |
85 |
> |
case "$host" in |
86 |
> |
*-ibm-aix*) dnl IBM/SP2 machines |
87 |
> |
dnl checking whether to use signal-based MPI |
88 |
|
|
89 |
+ |
AC_MSG_CHECKING([whether to use signal-based MPI library]) |
90 |
+ |
AC_MSG_RESULT([$PACX_SIGNAL]) |
91 |
+ |
if test "x$PACX_SIGNAL" = "xyes" ; then |
92 |
+ |
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
93 |
+ |
MPI_LIB="-lmpi" |
94 |
+ |
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
95 |
+ |
MPI_LIB="-lmpi" |
96 |
+ |
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
97 |
+ |
MPI_LIB="-lmpich" |
98 |
+ |
else |
99 |
+ |
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
100 |
+ |
fi |
101 |
+ |
else |
102 |
+ |
if test -f "$MPI_LIBDIR/libmpi_r.a" ; then |
103 |
+ |
MPI_LIB="-lmpi_r" |
104 |
+ |
else |
105 |
+ |
AC_MSG_ERROR([libmpi_r not found; check path for MPI package...]) |
106 |
+ |
fi |
107 |
+ |
fi |
108 |
+ |
AC_MSG_RESULT(found $MPI_LIB) |
109 |
+ |
;; |
110 |
+ |
*) dnl All other machines |
111 |
+ |
if test -f "$MPI_LIBDIR/libmpi.a" ; then |
112 |
+ |
MPI_LIB="-lmpi" |
113 |
+ |
elif test -f "$MPI_LIBDIR/libmpi.so" ; then |
114 |
+ |
MPI_LIB="-lmpi" |
115 |
+ |
elif test -f "$MPI_LIBDIR/libmpich.a" ; then |
116 |
+ |
MPI_LIB="-lmpich" |
117 |
+ |
else |
118 |
+ |
AC_MSG_ERROR([neither libmpi nor libmpich found; check path for MPI package first...]) |
119 |
+ |
fi |
120 |
+ |
AC_MSG_RESULT(found $MPI_LIB) |
121 |
+ |
;; |
122 |
+ |
esac |
123 |
+ |
AC_SUBST(MPI_LIB) |
124 |
|
|
125 |
< |
if test "x${CFLAGS}" = "x" |
87 |
< |
then |
88 |
< |
if test "x${GCC}" = "xyes" |
89 |
< |
then |
90 |
< |
dnl **** default settings for gcc |
91 |
< |
DEBUG="-g -O2" |
92 |
< |
OPTIMIZE="-O2" |
93 |
< |
CFLAGS="-fno-common -Wall -pedantic -Wpointer-arith -Wnested-externs" |
125 |
> |
ACX_MPI |
126 |
|
|
127 |
< |
dnl **** check for strength-reduce bug |
128 |
< |
ACX_GCC_STRENGTH_REDUCE(CFLAGS="$CFLAGS -fno-strength-reduce") |
127 |
> |
AM_PATH_SPRNG |
128 |
> |
CHECK_MKL |
129 |
> |
AC_CHECK_MPI_F90MOD |
130 |
|
|
131 |
< |
dnl **** some arch-specific optimizations/settings for gcc |
132 |
< |
case "${host}" in |
133 |
< |
i486-*) CPU_FLAGS="-m486";; |
101 |
< |
i586-*) ACX_CHECK_CC_FLAGS(-mcpu=pentium,cpu_pentium, |
102 |
< |
[CPU_FLAGS=-mcpu=pentium], |
103 |
< |
[ACX_CHECK_CC_FLAGS(-mpentium,pentium, |
104 |
< |
[CPU_FLAGS=-mpentium], [CPU_FLAGS=-m486])]) |
105 |
< |
;; |
106 |
< |
i686-*) ACX_CHECK_CC_FLAGS(-mcpu=pentiumpro,cpu_pentiumpro, |
107 |
< |
[CPU_FLAGS=-mcpu=pentiumpro], |
108 |
< |
[ACX_CHECK_CC_FLAGS(-mpentiumpro,pentiumpro, |
109 |
< |
[CPU_FLAGS=-mpentiumpro], [CPU_FLAGS=-m486])]) |
110 |
< |
;; |
111 |
< |
esac |
112 |
< |
|
113 |
< |
CFLAGS="$CPU_FLAGS $CFLAGS" |
114 |
< |
else |
115 |
< |
case "${host}" in |
116 |
< |
alpha*-dec-osf4.*) |
117 |
< |
CFLAGS="-std1 -w0" |
118 |
< |
OPTIMIZE="-O2" |
119 |
< |
DEBUG="-g3 -O2" |
120 |
< |
;; |
121 |
< |
hppa*-hp-hpux*) |
122 |
< |
CFLAGS="-Aa -D_HPUX_SOURCE" |
123 |
< |
OPTIMIZE="-O" |
124 |
< |
DEBUG="-g -O" |
125 |
< |
;; |
126 |
< |
mips-sgi-irix6.[[4-9]]*) |
127 |
< |
CFLAGS="-w" |
128 |
< |
OPTIMIZE="-O2 -OPT:Olimit=0" |
129 |
< |
DEBUG="-g3 -O2 -OPT:Olimit=0" |
130 |
< |
;; |
131 |
< |
mips-sgi-irix*) |
132 |
< |
CFLAGS="-fullwarn -woff 835" |
133 |
< |
OPTIMIZE="-O2 -Olimit 3500" |
134 |
< |
;; |
135 |
< |
rs6000-ibm-aix*) |
136 |
< |
CFLAGS="-D_ALL_SOURCE" |
137 |
< |
OPTIMIZE="-O2" |
138 |
< |
DEBUG="-g -O2" |
139 |
< |
;; |
140 |
< |
*) |
141 |
< |
CFLAGS="" |
142 |
< |
OPTIMIZE="-O" |
143 |
< |
DEBUG="-g" |
144 |
< |
;; |
145 |
< |
esac |
146 |
< |
fi |
147 |
< |
fi |
148 |
< |
|
149 |
< |
case $debug in |
150 |
< |
true) CFLAGS="$DEBUG $CFLAGS";; |
151 |
< |
*) CFLAGS="$OPTIMIZE $CFLAGS";; |
131 |
> |
case $F90 in |
132 |
> |
ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' ;; |
133 |
> |
*) fortran_machine_defs='' ;; |
134 |
|
esac |
135 |
+ |
AC_SUBST([fortran_machine_defs]) |
136 |
|
|
154 |
– |
dnl **** .exe/.obj file extensions |
137 |
|
AC_EXEEXT |
138 |
|
AC_OBJEXT |
157 |
– |
|
139 |
|
OBJEXT=".$OBJEXT" |
140 |
|
|
141 |
< |
AC_PROG_MAKE_SET |
141 |
> |
OOPSE=oopse |
142 |
|
|
143 |
< |
dnl **** Checks for programs. |
144 |
< |
AC_CHECK_PROG(AR, ar, ar, NONE) |
145 |
< |
if test "$AR" = "NONE"; then |
146 |
< |
AC_MSG_ERROR(--> Can't find \`ar'!) |
166 |
< |
AC_CACHE_SAVE |
167 |
< |
exit 1 |
168 |
< |
fi |
169 |
< |
|
170 |
< |
AC_F77_LIBRARY_LDFLAGS |
171 |
< |
|
172 |
< |
case $F77 in |
173 |
< |
ifc) fortran_machine_defs='Linux_ifc_machdep$(O)' flibs_extra='-lPEPCF90' ;; |
174 |
< |
*) echo $F77; AC_MSG_ERROR([currently only ifc is supported as the fortran compiler. See README for details]) ;; |
175 |
< |
esac |
176 |
< |
AC_SUBST([fortran_machine_defs]) |
177 |
< |
AC_SUBST([flibs_extra]) |
178 |
< |
|
179 |
< |
AC_ARG_WITH(mpi_f90_mods, |
180 |
< |
[ --with-mpi_f90_mods=<dir> specify the location of the MPI F90 |
181 |
< |
modules (default is |
182 |
< |
/usr/local/include/f90choice], |
183 |
< |
[mpi_f90_mods="${withval}"], |
184 |
< |
[mpi_f90_mods="/usr/local/include/f90choice"] ) |
185 |
< |
AC_SUBST(mpi_f90_mods) |
186 |
< |
if test -r $mpi_f90_mods/MPI.mod || test -r $mpi_f90_mods/mpi.mod; then |
187 |
< |
AC_DEFINE(USE_MPI_F90_MODS, 1, [define whether we have the MPI f90 modules]) |
143 |
> |
dnl **** define home dir of oopse |
144 |
> |
if test "x${prefix}" = "xNONE" |
145 |
> |
then |
146 |
> |
OOPSE_HOME=${ac_default_prefix}/oopse |
147 |
|
else |
148 |
< |
AC_MSG_ERROR(--> Can't find MPI f90 modules!) |
190 |
< |
AC_CACHE_SAVE |
191 |
< |
exit 1 |
148 |
> |
OOPSE_HOME=${prefix}/oopse |
149 |
|
fi |
150 |
+ |
AC_ARG_ENABLE(oopse-home, |
151 |
+ |
[ --enable-oopse-home=DIR define oopse home dir [PREFIX/oopse]], |
152 |
+ |
[OOPSE_HOME="${enableval}"]) |
153 |
|
|
194 |
– |
AC_ARG_WITH(sprng_include, |
195 |
– |
[ --with-sprng_include=<include dir> specify the location of the sprng |
196 |
– |
headers (default is |
197 |
– |
/usr/local/include/sprng)], |
198 |
– |
[sprng_include="$withval"], |
199 |
– |
[sprng_include="/usr/local/include/sprng"] ) |
200 |
– |
AC_SUBST(sprng_include) |
201 |
– |
AC_CHECK_HEADERS([$sprng_include/sprng.h], |
202 |
– |
AC_DEFINE(USE_SPRNG, 1, [define whether we have the sprng libraries]), |
203 |
– |
AC_MSG_ERROR(sprng header files not found.)) |
204 |
– |
|
205 |
– |
AC_ARG_WITH(sprng_libdir, |
206 |
– |
[ --with-sprng_libdir=<library dir> specify the location of the sprng |
207 |
– |
libraries (default is |
208 |
– |
/usr/local/lib)], |
209 |
– |
[sprng_libdir="$withval"], |
210 |
– |
[sprng_libdir="/usr/local/lib"] ) |
211 |
– |
AC_SUBST(sprng_libdir) |
212 |
– |
AC_CHECK_FILE([$sprng_libdir/libsprng.a],, |
213 |
– |
AC_MSG_ERROR(libsprng.a not found.)) |
214 |
– |
|
215 |
– |
AC_ARG_WITH(mpich_include, |
216 |
– |
[ --with-mpich_include=<include dir> specify the location of the mpich |
217 |
– |
headers (default is |
218 |
– |
/usr/local/include)], |
219 |
– |
[mpich_include="$withval"], |
220 |
– |
[mpich_include="/usr/local/include"] ) |
221 |
– |
AC_SUBST(mpich_include) |
222 |
– |
AC_CHECK_HEADERS([$mpich_include/mpi.h], |
223 |
– |
AC_DEFINE(HAVE_MPICH, 1, [define whether we have the mpich libraries]), |
224 |
– |
AC_MSG_ERROR(mpich header files not found.)) |
225 |
– |
|
226 |
– |
AC_ARG_WITH(mpich_libdir, |
227 |
– |
[ --with-mpich_libdir=<library dir> specify the location of the mpich |
228 |
– |
libraries (default is /usr/local/lib)], |
229 |
– |
[mpich_libdir="$withval"], |
230 |
– |
[mpich_libdir="/usr/local/lib"] ) |
231 |
– |
AC_SUBST(mpich_libdir) |
232 |
– |
AC_CHECK_FILE([$mpich_libdir/libmpich.a],, |
233 |
– |
AC_MSG_ERROR(libmpi.a not found.)) |
234 |
– |
|
235 |
– |
|
236 |
– |
AC_PROG_INSTALL |
154 |
|
case "x$INSTALL" in |
155 |
|
x/*) ;; |
156 |
|
*) INSTALL=`pwd`/ac-tools/"shtool install -c" ; |
161 |
|
dnl **** Final list of subdirs |
162 |
|
SUBDIRS="libBASS libmdtools src forceFields samples utils utils/sysbuilder" |
163 |
|
|
164 |
< |
dnl **** Create Make.conf |
165 |
< |
AC_OUTPUT(Make.conf:ac-tools/Make.conf.in) |
164 |
> |
dnl **** Define CFLAGS etc empty to prevent configure from setting them |
165 |
> |
#CFLAGS=${CFLAGS-""} |
166 |
> |
#CXXFLAGS=${CXXFLAGS-""} |
167 |
> |
#CPPFLAGS=${CPPFLAGS-""} |
168 |
> |
#FFLAGS=${FFLAGS-""} |
169 |
> |
#LDFLAGS=${LDFLAGS-""} |
170 |
> |
#OPTIMIZE=${OPTIMIZE-"-O"} |
171 |
> |
#DEBUG=${DEBUG-"-g"} |
172 |
> |
|
173 |
> |
case $debug in |
174 |
> |
true) |
175 |
> |
CFLAGS="$DEBUG $CFLAGS" |
176 |
> |
CXXFLAGS="$DEBUG $CXXFLAGS" |
177 |
> |
FFLAGS="$DEBUG $FFLAGS" |
178 |
> |
F90FLAGS="$DEBUG $F90FLAGS" |
179 |
> |
;; |
180 |
> |
*) |
181 |
> |
CFLAGS="$OPTIMIZE $CFLAGS" |
182 |
> |
CXXFLAGS="$OPTIMIZE $CXXFLAGS" |
183 |
> |
FFLAGS="$OPTIMIZE $FFLAGS" |
184 |
> |
F90FLAGS="$OPTIMIZE $F90FLAGS" |
185 |
> |
;; |
186 |
> |
esac |
187 |
> |
|
188 |
> |
|
189 |
> |
AC_SUBST(EXEEXT) |
190 |
> |
AC_SUBST(OBJEXT) |
191 |
> |
AC_SUBST(BATEXT) |
192 |
> |
AC_SUBST(MKINSTALLDIRS) |
193 |
> |
AC_SUBST(OOPSE) |
194 |
> |
AC_SUBST(OOPSE_HOME) |
195 |
> |
AC_SUBST(SUBDIRS) |
196 |
> |
AC_SUBST(CFLAGS) |
197 |
> |
AC_SUBST(CXXFLAGS) |
198 |
> |
AC_SUBST(CPPFLAGS) |
199 |
> |
AC_SUBST(FFLAGS) |
200 |
> |
AC_SUBST(F90FLAGS) |
201 |
> |
AC_SUBST(LDFLAGS) |
202 |
> |
AC_SUBST(PREPFLAG) |
203 |
> |
AC_SUBST(PREPDEFFLAG) |
204 |
> |
AC_CONFIG_HEADER([libmdtools/config.h]) |
205 |
> |
AC_CONFIG_FILES([Makefile |
206 |
> |
libBASS/Makefile libmdtools/Makefile src/Makefile utils/Makefile |
207 |
> |
utils/sysbuilder/Makefile forceFields/Makefile samples/Makefile |
208 |
> |
samples/alkane/Makefile samples/argon/Makefile |
209 |
> |
samples/beadLipid/Makefile samples/lipid/Makefile |
210 |
> |
samples/metals/Makefile samples/water/Makefile |
211 |
> |
]) |
212 |
> |
|
213 |
> |
AC_OUTPUT |