-
Notifications
You must be signed in to change notification settings - Fork 22
/
configure.ac
265 lines (214 loc) · 7.45 KB
/
configure.ac
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
# -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.
AC_PREREQ([2.63])
AC_INIT(qball, alsos, xavier@llnl.gov)
AM_INIT_AUTOMAKE
AC_CONFIG_SRCDIR([src/ui/FoldInWsCmd.h])
AC_CONFIG_HEADERS([config.h])
AC_CONFIG_MACRO_DIR([m4])
# Checks for programs.
AC_PROG_AWK
AC_PROG_CXX(mpic++)
AX_CXX_COMPILE_STDCXX([11])
AC_PROG_CC(mpicc)
AC_PROG_CC_C99
AC_PROG_LN_S
AC_PROG_MAKE_SET
AC_PROG_RANLIB
AC_C_BIGENDIAN([acx_bigendian=yes], [acx_bigendian=no])
if test x$acx_bigendian == xyes; then
AC_DEFINE(WORDS_BIGENDIAN, 1, [the architecture is bigendian])
fi
AC_SYS_LARGEFILE
# Checks for header files.
AC_CHECK_HEADERS([stdint.h stdlib.h string.h sys/time.h unistd.h])
# Checks for typedefs, structures, and compiler characteristics.
AC_C_INLINE
AC_TYPE_OFF_T
AC_TYPE_SIZE_T
AC_TYPE_UINT64_T
# Checks for library functions.
AC_FUNC_ERROR_AT_LINE
AC_FUNC_FSEEKO
AC_FUNC_STRTOD
AC_CHECK_FUNCS([gettimeofday memset mkdir pow sqrt strspn uname])
AC_MSG_NOTICE([
================================================================================
CHECKING FOR FORTRAN LIBRARIES
================================================================================])
dnl We need to check for fortran, to link with blas and other libraries
AC_PROG_FC(mpif90)
AC_FC_LIBRARY_LDFLAGS
AC_FC_WRAPPERS
AC_MSG_NOTICE([
================================================================================
CHECKING FOR OPENMP
================================================================================])
# Checks for OpenMP
AC_LANG_PUSH(C)
AX_OPENMP
CXXFLAGS="$CXXFLAGS $OPENMP_CXXFLAGS"
AC_LANG_POP(C)
# Checks for OpenMP
AC_LANG_PUSH(C++)
AX_OPENMP
CXXFLAGS="$CXXFLAGS $OPENMP_CXXFLAGS"
AC_LANG_POP(C++)
# Checks for OpenMP
AC_LANG_PUSH(Fortran)
AX_OPENMP
CXXFLAGS="$CXXFLAGS $OPENMP_CXXFLAGS"
AC_LANG_POP(Fortran)
#LIBRARIES
AC_MSG_NOTICE([
================================================================================
CHECKING FOR MPI
================================================================================])
acx_mpi_ok=yes
AC_LANG_PUSH(C++)
AC_CHECK_HEADERS([mpi.h], [], [acx_mpi_ok=no])
AC_CHECK_FUNCS([MPI_Init], [], [acx_mpi_ok=no])
AC_LANG_POP(C++)
AC_MSG_CHECKING(whether we can use MPI)
AC_MSG_RESULT($acx_mpi_ok)
if test $acx_mpi_ok == yes; then
AC_DEFINE(USE_MPI, 1, [enable MPI support])
else
AC_MSG_ERROR([
Cannot find the required MPI library. If you have an MPI Implementation
installed you might need to set CC=mpicc and CXX=mpic++.
])
fi
AC_DEFINE(ARCH, "autotools", [architecture])
AC_MSG_NOTICE([
================================================================================
CHECKING FOR FFT LIBRARIES
================================================================================])
found_fft=no
#FFTW3
if test x$found_fft != xyes ; then
ACX_ESSL_FFT
fi
if test x$acx_essl_fft_ok == xyes ; then
found_fft=yes
fft_lib=essl
CFLAGS="$CFLAGS $CFLAGS_ESSL_FFT"
CXXFLAGS="$CXXFLAGS $CFLAGS_ESSL_FFT"
LIBS="$LIBS $LIBS_FFTW3"
fi
#FFTW3
if test x$found_fft != xyes ; then
ACX_FFTW3
fi
if test x$acx_fftw3_ok == xyes ; then
found_fft=yes
fft_lib=fftw3
CFLAGS="$CFLAGS $CFLAGS_FFTW3"
CXXFLAGS="$CXXFLAGS $CFLAGS_FFTW3"
LIBS="$LIBS $LIBS_FFTW3"
fi
#FFTW2
if test x$found_fft != xyes ; then
ACX_FFTW2
fi
if test x$acx_fftw2_ok == xyes ; then
found_fft=yes
fft_lib=fftw2
CFLAGS="$CFLAGS $CFLAGS_FFTW2"
CXXFLAGS="$CXXFLAGS $CFLAGS_FFTW2"
LIBS="$LIBS $LIBS_FFTW2"
fi
#INTERNAL LIBRARY
if test x$found_fft != xyes ; then
AC_MSG_WARN([
Cannot find a suitable FFT library, using _slower_ internal FFT routines.
])
fft_lib=internal
AC_DEFINE(FFT_NOLIB, 1, [no FFT library])
fi
AC_MSG_NOTICE([
================================================================================
CHECKING FOR REQUIRED LINEAR ALGEBRA LIBRARIES (BLAS AND LAPACK)
================================================================================])
dnl check for BLAS
ACX_BLAS([], AC_MSG_ERROR([could not find required BLAS library]))
dnl check for LAPACK
ACX_LAPACK([], AC_MSG_ERROR([could not find required LAPACK library]))
AC_MSG_NOTICE([
================================================================================
CHECKING FOR REQUIRED PARALLEL LINEAR ALGEBRA LIBRARIES (BLACS AND SCALAPACK)
================================================================================])
ACX_BLACS
ACX_SCALAPACK
ACX_SCALAPACK2
LIBS="$LIBS_SCALAPACK $LIBS_BLACS $LIBS_LAPACK $LIBS_BLAS $LIBS $FCLIBS"
AC_MSG_NOTICE([
================================================================================
IBM MASS LIBRARY
================================================================================])
dnl For the moment we do not use MASS because it conflicts with xlfmath
dnl AC_CHECK_LIB(mass, sincos)
ACX_MASSV
if test x$acx_massv_ok == xyes; then
LIBS="$LIBS_MASSV $LIBS"
fi
AC_MSG_NOTICE([
================================================================================
CHECKING FOR BLUEGENE/Q LIBRARIES
================================================================================])
AC_CHECK_HEADERS([spi/include/kernel/location.h bgpm/include/bgpm.h], [acx_bgq=yes], [acx_bgq=no])
if test x$acx_bgq == xyes; then
AC_DEFINE(HAVE_BGQLIBS, 1, [whether BlueGene/Q libraries are available])
fi
AC_MSG_NOTICE([
================================================================================
CONFIGURATION DONE, GENERATING MAKEFILES
================================================================================])
AC_CONFIG_FILES([Makefile
external_libs/Makefile
external_libs/dftd3/Makefile
external_libs/rapidxml/Makefile
share/Makefile
share/pseudopotentials/Makefile
share/pseudopotentials/pseudo-dojo.org/Makefile
share/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_standard/Makefile
share/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbe_stringent/Makefile
share/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_standard/Makefile
share/pseudopotentials/pseudo-dojo.org/nc-sr-04_pbesol_stringent/Makefile
share/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_standard/Makefile
share/pseudopotentials/pseudo-dojo.org/nc-sr-04_pw_stringent/Makefile
share/pseudopotentials/quantum-simulation.org/Makefile
share/pseudopotentials/quantum-simulation.org/hscv/Makefile
share/pseudopotentials/quantum-simulation.org/hscv/lda/Makefile
share/pseudopotentials/quantum-simulation.org/hscv/pbe/Makefile
share/pseudopotentials/quantum-simulation.org/sg15/Makefile
share/pseudopotentials/quantum-simulation.org/sg15/convergence/Makefile
src/Makefile
src/math/Makefile
src/pseudo/Makefile
src/functionals/Makefile
src/ui/Makefile
src/vars/Makefile
src/qball/Makefile
src/main/Makefile
src/tests/Makefile
testsuite/Makefile])
AC_OUTPUT
AC_MSG_NOTICE([
================================================================================
CONFIGURATION SUMMARY
================================================================================
C compiler : $CC $CFLAGS
C++ compiler : $CXX $CXXFLAGS
Fortran compiler : $FC $FCFLAGS
Big endian : $acx_bigendian
MPI : $acx_mpi_ok
FFT library : $fft_lib
BLAS : $LIBS_BLAS
LAPACK : $LIBS_LAPACK
BLACS : $LIBS_BLACS
SCALAPACK : $acx_scalapack_ok ($LIBS_SCALAPACK)
SCALAPACK 2 : $acx_scalapack2_ok
MASSV : $acx_massv_ok
BlueGene/Q : $acx_bgq
])