3
define([psi_mmm_version],[3.2.3])
4
define([psi_buildid],[stable])
5
define([psi_so_version],[1:0:0])
6
define([psi_email],[psicode@users.sourceforge.net])
8
# Process this file with autoconf to produce a configure script.
9
define([AC_CACHE_LOAD], )dnl for debugging configure.in
10
define([AC_CACHE_SAVE], )dnl for debugging configure.in
12
AC_INIT(psi,psi_mmm_version,psi_email)
13
AC_CONFIG_SRCDIR(aclocal.m4)
14
AC_CONFIG_HEADER(include/psiconfig.h)
17
# Make srcdir an absolute path
18
srcdir=`(cd $srcdir; pwd)`
20
# That's where extra scripts necessary for configuration (config.guess, etc.) are located
21
AC_CONFIG_AUX_DIR(bin)
23
# Set up the default paths.
24
AC_PREFIX_DEFAULT(/usr/local/psi)
27
docdir='$(prefix)/doc'
28
mandir='$(docdir)/man'
29
txtdir='$(docdir)/txt'
30
htmldir='$(docdir)/html'
31
dvidir='$(docdir)/dvi'
33
# To make a "make all" at the top level work before the utilities
34
# and include files are installed, the include files
35
# will be put into an objincdir and the utilities will be accessed
36
# from src/util in the object directory.
38
objincdir='$(top_objdir)/include'
52
PSI_MMM_VERSION=psi_mmm_version
53
PSI_BUILDID=psi_buildid
54
AC_SUBST(PSI_MMM_VERSION)
65
#########################################
67
# Package-specific arguments and checks
69
#########################################
73
AC_ARG_WITH(max-am-eri,[ --with-max-am-eri Maximum ERI AM],[
74
LIBINT_NEW_AM=$((2*($withval)))
75
LIBINT_OPT_AM=$(($withval))
77
AC_SUBST(LIBINT_NEW_AM,$LIBINT_NEW_AM)
78
AC_SUBST(LIBINT_OPT_AM,$LIBINT_OPT_AM)
81
AC_ARG_WITH(max-am-deriv1,[ --with-max-am-deriv1 Maximum deriv1 ERI AM],[
82
LIBDERIV_NEW_AM1=$((2*($withval)))
84
AC_SUBST(LIBDERIV_NEW_AM1)
86
AC_ARG_WITH(max-am-deriv2,[ --with-max-am-deriv2 Maximum deriv2 ERI AM],[
87
LIBDERIV_NEW_AM2=$((2*($withval)))
89
AC_SUBST(LIBDERIV_NEW_AM2)
93
AC_ARG_WITH(max-am-r12,[ --with-max-am-r12 Maximum R12 AM],[
94
LIBR12_NEW_AM=$((2*($withval)))
95
LIBR12_OPT_AM=$((2*($withval)))
97
AC_SUBST(LIBR12_NEW_AM)
98
AC_SUBST(LIBR12_OPT_AM)
100
######################
104
######################
106
# potential names of compilers
107
FC_LIST="g77 f77 fc f2c"
109
CXX_LIST="g++ c++ cxx"
111
# set up os specific options
114
FC_LIST="xlf_r $FC_LIST"
116
CXX_LIST="xlC_r g++ c++"
119
FC_LIST="f77 $FC_LIST"
121
CXX_LIST="CC g++ c++"
125
AC_ARG_WITH(cc,[ --with-cc which cc command to use],[
139
AC_ARG_WITH(cxx,[ --with-cxx which cxx command to use],[
153
AC_ARG_WITH(fc,[ --with-fc which fortran compiler to use],[
168
[ --with-ranlib Gives the name of the ranlib program.],
172
AC_CHECK_PROGS(AR,ar,ar)
174
[ --with-ar Names the archive creator.],
180
AC_ARG_WITH(ar-flags,
181
[ --with-ar-flags Flags for the the archive creator.],
184
# set up os specific archiver options
187
ARFLAGS="-X32_64 $ARFLAGS"
193
[ --with-ld Names the object linker.],
201
[ --with-incdirs Specifies include directories (-Idir1 -Idir2).],
202
EXTRAINCDIRS=$withval
204
echo Using extra include directories: $withval
208
[ --with-libs Specifies libraries (-llib1 -llib2).],
210
echo Using extra libraries: $withval
217
[ --with-libdirs Specifies library directories (-Ldir1 -Ldir2).],
220
echo Using extra library directories: $withval
223
AC_PATH_PROG(PERL, perl, , $PATH:/usr/bin:/usr/local/bin)
225
[ --with-perl Names the Perl interpreter.],
230
# Find out which compilers are available.
231
if test -z "$FC"; then
232
AC_PROGRAMS_CHECK(FC,$FC_LIST,f77)
237
if test -z "$CC"; then
238
AC_PROGRAMS_CHECK(CC,$CC_LIST,cc)
241
if test -z "$CXX"; then
242
AC_PROGRAMS_CHECK(CXX,$CXX_LIST,c++)
245
# Figure out libraries needed to link Fortran programs in C ..
246
AC_F77_LIBRARY_LDFLAGS
247
# .. and check if they work
248
AC_CHECK_LIB(c,exit,[],[
250
AC_MSG_WARN([F77 libraries don't seem to link with C programs])
253
# Get info on the utility programs.
258
if test "X$RANLIB" = "Xfalse"; then
263
INSTALL_INCLUDE='$(top_srcdir)/bin/installinc.sh' AC_SUBST(INSTALL_INCLUDE)
264
MKDIRS='$(top_srcdir)/bin/mkdirs.sh' AC_SUBST(MKDIRS)
266
# check if some of the programs are missing
267
if test "X$PERL" = "X"; then
268
AC_MSG_ERROR([Could not find the program perl. It can be obtained at www.gnu.org])
271
# Under AIX we use lex rather than flex -- the latter didn't work well in 64-bit
272
# environment (as of 1998)
273
if echo $os | grep aix >/dev/null 2>&1; then
274
test -z "$LEX" && AC_PATH_PROG(LEX,lex) AC_SUBST(LEX)
275
test -z "$LEXLIB" && LEXLIB=`echo $LEX|sed "s bin/lex.* lib/libl.a "`
276
if test -n "$LEXLIB" && test -f "$LEXLIB"; then
277
test -n "$verbose" && echo "setting LEXLIB to $LEXLIB"
283
# If we got flex but didn't get LEXLIB try to find LEXLIB
286
if test -z "$LEXLIB"; then
287
AC_PROGRAM_PATH(FLEXPATH,flex)
288
FLEXLIBPATH=`echo $FLEXPATH|sed "s bin/flex.* lib/libfl.a "`
289
if test -n "$FLEXLIBPATH" && test -f "$FLEXLIBPATH"; then
291
test -n "$verbose" && echo "setting LEXLIB to $LEXLIB"
299
# Figure out the suffix used for fortran for files (as $(FC) needs
300
# them--not F since that is psipp's input suffix).
301
test -z "$F77SUF" && F77SUF=f AC_SUBST(F77SUF)
303
# Figure out the library suffix.
304
test -z "$LIBSUF" && LIBSUF=a AC_SUBST(LIBSUF)
306
# Figure out the object file suffix.
307
test -z "$OBJSUF" && OBJSUF=o AC_SUBST(OBJSUF)
309
# See if the C compiler can do dependency checking.
310
AC_CC_PROCESS_CHECK(C dependency processing,[
311
#include "nosuchincludefile.h"
312
],-M,CCDEPEND='$(CC) -M'; DODEPEND=yes,CCDEPEND=":"; DODEPEND=no)
315
AC_MSG_RESULT(CCDEPEND is $CCDEPEND)
316
AC_MSG_RESULT(DODEPEND is $DODEPEND)
318
# find the c libraries
319
AC_CHECK_LIB(m,exit,CLIBS="$CLIBS -lm")
320
AC_CHECK_LIB(bsd,exit,CLIBS="$CLIBS -lbsd")
321
AC_MSG_RESULT(c libs: $CLIBS)
325
# some c libraries are also c++ libraries
326
AC_CHECK_LIB(m,exit,CXXLIBS="$CXXLIBS -lm")
327
AC_MSG_RESULT(c++ libs: $CXXLIBS)
331
# find BLAS and LAPACK libraries
332
AC_LANG_PUSH(Fortran 77)
333
AC_ARG_WITH(blas,[ --with-blas which blas library to use],[
346
if test "X$BLAS" = X; then
347
AC_CHECK_LIB(essl, DGEMM, BLAS="-lessl")
349
if test "X$BLAS" = X; then
350
AC_CHECK_LIB(scs, DGEMM, BLAS="-lscs")
352
if test "X$BLAS" = X; then
353
AC_CHECK_LIB(atlas, DGEMM, BLAS="-latlas")
355
if test "X$BLAS" = X; then
356
AC_CHECK_LIB(blas, DGEMM, BLAS="-lblas")
358
if test "X$BLAS" = X; then
359
AC_MSG_ERROR("Did not find a BLAS library")
363
AC_ARG_WITH(lapack,[ --with-lapack which lapack library to use],[
376
# first test if BLAS-containing library contains LAPACK as well
377
if test "X$LAPACK" = X; then
380
AC_MSG_CHECKING(whether BLAS library contains LAPACK)
381
AC_TRY_LINK_FUNC(DGEEV,[LAPACK=" ";AC_MSG_RESULT(yes)],AC_MSG_RESULT(no))
384
if test "X$LAPACK" = X; then
385
AC_CHECK_LIB(lapack,DGEEV, LAPACK="-llapack",,$BLAS)
387
if test "X$LAPACK" = X; then
388
AC_MSG_ERROR("Did not find a LAPACK library")
391
AC_LANG_POP(Fortran 77)
393
############################################################################
394
# Set up compiler flags:
396
# FDBG Fortran debug flags.
397
# FOPT Fortran opt flags.
398
# FDEF Fortran defines (for psipp).
399
# FINC Fortran include directories (for psipp).
400
# FOTH Other fortran flags.
401
# CDBG C debug flags.
404
# COTH Other C flags.
405
# CINC C include directories (with -I in front).
406
# CXXDBG C++ debug flags.
407
# CXXOPT C++ opt flags.
408
# CXXDEF C++ defines.
409
# CXXOTH Other C++ flags.
410
# CXXINC C++ include directories (with -I in front).
412
PSICPPFLAGS='-I. -I$(objincdir) -I$(top_srcdir)/include -I$(top_srcdir)/src/lib -I$(top_objdir)/src/lib' AC_SUBST(PSICPPFLAGS)
413
FDBG='-g' AC_SUBST(FDBG)
414
FOPT='-O' AC_SUBST(FOPT)
415
FDEF='' AC_SUBST(FDEF)
416
FOTH='' AC_SUBST(FOTH)
417
FSTATIC='' AC_SUBST(FSTATIC)
418
FINC='$(CPPFLAGS) $(PSICPPFLAGS)' AC_SUBST(FINC)
419
CDBG='-g' AC_SUBST(CDBG)
420
COPT='-O2' AC_SUBST(COPT)
421
CDEF='' AC_SUBST(CDEF)
422
COTH='' AC_SUBST(COTH)
423
CINC='$(CPPFLAGS) $(PSICPPFLAGS)' AC_SUBST(CINC)
424
CXXDBG='-g' AC_SUBST(CXXDBG)
425
CXXOPT='-O2' AC_SUBST(CXXOPT)
426
CXXDEF='' AC_SUBST(CXXDEF)
427
CXXOTH='' AC_SUBST(CXXOTH)
428
CXXINC='$(CPPFLAGS) $(PSICPPFLAGS)' AC_SUBST(CXXINC)
433
# check for header files
434
AC_HAVE_HEADERS(errno.h fcntl.h unistd.h stdint.h sys/types.h sys/times.h sys/param.h)
436
# check for C++ headers
437
AC_CXX_PROCESS_CHECK([cmath],[#include <cmath>],,[HAVE_CMATH=1],[HAVE_CMATH=0]) CXXDEF="$CXXDEF -DHAVE_CMATH=$HAVE_CMATH"
438
AC_CXX_PROCESS_CHECK([cstdio],[#include <cstdio>],,[HAVE_CSTDIO=1],[HAVE_CSTDIO=0]) CXXDEF="$CXXDEF -DHAVE_CSTDIO=$HAVE_CSTDIO"
439
AC_CXX_PROCESS_CHECK([cstdlib],[#include <cstdlib>],,[HAVE_CSTDLIB=1],[HAVE_CSTDLIB=0]) CXXDEF="$CXXDEF -DHAVE_CSTDLIB=$HAVE_CSTDLIB"
440
AC_CXX_PROCESS_CHECK([cstring],[#include <cstring>],,[HAVE_CSTRING=1],[HAVE_CSTRING=0]) CXXDEF="$CXXDEF -DHAVE_CSTRING=$HAVE_CSTRING"
441
AC_CXX_PROCESS_CHECK([cstddef],[#include <cstddef>],,[HAVE_CSTDDEF=1],[HAVE_CSTDDEF=0]) CXXDEF="$CXXDEF -DHAVE_CSTDDEF=$HAVE_CSTDDEF"
445
#check to see if void* is allowed
446
AC_MSG_CHECKING(for void pointers)
450
void *func(void*ptr) { return ptr;
451
],,psi_ac_voidptr=no)
452
AC_MSG_RESULT($psi_ac_voidptr)
453
if test $psi_ac_voidptr = "no"; then
454
CDEF="$CDEF -DNO_VOID_PTR"
457
AC_CHECK_DECLS([putenv],[extradef="-DHAVE_DECL_PUTENV=1"])
458
CDEF="$CDEF $extradef"
459
CXXDEF="$CXXDEF $extradef"
460
AC_CHECK_FUNC(putenv,[extradef="-DHAVE_PUTENV=1"])
461
CDEF="$CDEF $extradef"
462
CXXDEF="$CXXDEF $extradef"
464
AC_CHECK_DECLS([setenv],[extradef="-DHAVE_DECL_SETENV=1"])
465
CDEF="$CDEF $extradef"
466
CXXDEF="$CXXDEF $extradef"
467
AC_CHECK_FUNC(setenv,[extradef="-DHAVE_SETENV=1"])
468
CDEF="$CDEF $extradef"
469
CXXDEF="$CXXDEF $extradef"
471
AC_CHECK_LIB(m,isinf,[extradef="-DHAVE_FUNC_ISINF=1"],[extradef=""])
472
if test X$extradef = X; then
473
AC_CHECK_LIB(m,finite,[extradef="-DHAVE_FUNC_FINITE=1"],[extradef=""])
475
if test X$extradef = X; then
476
AC_ERROR([Did not find isinf() or finite() functions.])
478
CDEF="$CDEF $extradef"
479
CXXDEF="$CXXDEF $extradef"
482
# set up cpu specific flags
483
AC_MSG_CHECKING([for architecture/compiler specific optimization flags])
486
if test "$FC" = xlf_r ; then
487
FOPT="-O2 -qarch=com -qxflag=xalias -qdpc -qfloat=fold -qfloat=maf -qmaxmem=-1"
489
if test "$CC" = xlc_r -o "$CC" = cc_r ; then
490
COPT="-O2 -qarch=com -qfloat=maf -qfloat=fold -qmaxmem=-1"
492
if test "$CXX" = xlC_r ; then
493
CXXOPT="-O2 -qarch=com -qfloat=maf -qfloat=fold -qmaxmem=-1"
497
if test "$FC" = xlf_r ; then
498
FOPT="-O2 -qarch=ppc -qxflag=xalias -qdpc -qfloat=fold -qmaxmem=-1 -qfloat=maf"
500
if test "$CC" = xlc_r -o "$CC" = cc_r ; then
501
COPT="-O2 -qarch=ppc -qfloat=maf -qfloat=fold -qmaxmem=-1"
503
if test "$CXX" = xlC_r ; then
504
CXXOPT="-O2 -qarch=ppc -qfloat=maf -qfloat=fold -qmaxmem=-1"
508
if test "$FC" = g77 ; then
509
FOPT="-O2 -march=pentiumpro"
511
if test "$CC" = gcc -o "$CC" = cc ; then
512
COPT="-O2 -march=pentiumpro"
514
if test "$CXX" = g++ -o "$CXX" = c++ -o "$CXX" = gcc ; then
515
CXXOPT="-O2 -march=pentiumpro"
519
AC_MSG_RESULT([C optimization flags: $COPT])
520
AC_MSG_RESULT([C++ optimization flags: $CXXOPT])
523
AC_MSG_CHECKING([for OS specific flags])
526
# _ALL_SOURCE is required because some include files on AIX don't seem to work with pure POSIX
527
EXTRADEFS="-DAIX -D_LARGE_FILES -D_ALL_SOURCE"
528
FDEF="$FDEF $EXTRADEFS"
529
CDEF="$CDEF $EXTRADEFS"
530
CXXDEF="$CXXDEF $EXTRADEFS"
533
EXTRADEFS="-DLinux -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE"
534
FDEF="$FDEF $EXTRADEFS"
535
CDEF="$CDEF $EXTRADEFS"
536
CXXDEF="$CXXDEF $EXTRADEFS"
539
AC_MSG_RESULT([C preprocessor directives: $CDEF])
540
AC_MSG_RESULT([C++ preprocessor directives: $CXXDEF])
542
# Set up CFLAGS and FFLAGS.
544
CFLAGS='$(CDBG) $(COPT) $(CDEF) $(COTH) $(CINC)' AC_SUBST(CFLAGS)
545
CXXFLAGS='$(CXXDBG) $(CXXOPT) $(CXXDEF) $(CXXOTH) $(CXXINC)' AC_SUBST(CXXFLAGS)
546
FFLAGS='$(FDBG) $(FOPT) $(FOTH) $(FSTATIC)' AC_SUBST(FFLAGS)
548
# Adjust the debug flags.
549
# The default is to not debug. --with-debug will turn on debugging.
550
AC_ARG_WITH(debug,[ --with-debug will turn on debugging],[
565
],CDBG='' CXXDBG='' FDBG='')
567
# Adjust the optimize flags.
568
# The default is to optimize. --with-opt=no or --without-opt will turn
570
AC_ARG_WITH(opt,[ --with-opt --with-opt=no will turn off optimization],[
587
# Adjust the flags dealing with strictness of the compilers.
588
# The default is to disable strict language checks. --with-opt=no or --without-opt will turn
590
AC_ARG_WITH(strict,[ --with-strict --with-strict=yes will turn on strict compiler warnings],[
593
# "Strict" flags only known for GNU compilers
594
if test "$G77" = yes ; then
597
if test "$GCC" = yes ; then
598
COTH="$COTH -Wall -ansi"
600
if test "$GXX" = yes ; then
601
CXXOTH="$CXXOTH -Wall -ansi"
608
AC_MSG_RESULT([C extra flags: $COTH])
609
AC_MSG_RESULT([C++ extra flags: $CXXOTH])
611
# check Fortran symbol convention
612
AC_MSG_CHECKING(fortran symbols)
613
if test -n "$FC" ; then
614
/bin/rm -f ffunc.f flink.c
615
echo " subroutine ffunc()" > ffunc.f
616
echo " return" >> ffunc.f
617
echo " end" >> ffunc.f
618
$FC -c ffunc.f 1>/dev/null 2>/dev/null
619
echo "main(){ FF(); return 0; }" > flink.c
620
if $CC -o flink -DFF=ffunc flink.c ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
621
AC_MSG_RESULT(same as C)
623
elif $CC -o flink -DFF=ffunc_ flink.c ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
624
AC_MSG_RESULT(lowercase with underscore)
626
elif $CC -o flink -DFF=FFUNC flink.c ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
627
AC_MSG_RESULT(uppercase)
629
elif $CC -o flink -DFF=FFUNC_ flink.c ffunc.o $LDFLAGS $LIBS 1>/dev/null 2>/dev/null; then
630
AC_MSG_RESULT(uppercase with underscore)
633
AC_MSG_RESULT(giving up)
634
AC_MSG_ERROR(could not determine fortran symbol names)
636
/bin/rm -f ffunc.f ffunc.o flink flink.c flink.o ffunc
639
AC_MSG_RESULT(guessing lowercase with underscore)
644
# Check for LaTeX, DVIPS, and LaTeX2HTML
651
# Support for dependency rules
654
# The GNU compilers work with:
660
/bin/rm -f depcheck.u depcheck.c depcheck.o depcheck.cc
662
# Check for an IBM visual age C compiler
663
echo "#include <stdio.h>" > depcheck.c
664
$CC $CPPFLAGS $CFLAGS -M depcheck.c > /dev/null 2>&1
665
if test -f depcheck.u; then
668
/bin/rm -f depcheck.u depcheck.c depcheck.o depcheck.cc
670
# Check for an IBM visual age C++ compiler
671
echo "#include <iostream>" > depcheck.cc
672
$CXX $CPPFLAGS $CXXFLAGS -M -E depcheck.cc > /dev/null 2>&1
673
if test -f depcheck.u; then
675
CXXDEPENDFLAGS="-M -E"
677
/bin/rm -f depcheck.u depcheck.c depcheck.o depcheck.cc
679
AC_SUBST(CCDEPENDSUF)
680
AC_SUBST(CXXDEPENDSUF)
681
AC_SUBST(CCDEPENDFLAGS)
682
AC_SUBST(CXXDEPENDFLAGS)
684
AC_OUTPUT(include/sizeof.h include/Makefile
685
include/chkpt_params.h
686
Makefile lib/Makefile src/Makefile
687
src/lib/Makefile src/lib/MakeRules src/lib/MakeVars
688
src/util/Makefile src/util/MakeRules src/util/MakeVars
690
src/util/tocprint/Makefile
691
src/util/psi2molden/Makefile
693
src/lib/libciomr/Makefile
694
src/lib/libciomr/iomrparam.h
695
src/lib/libipv1/Makefile
696
src/lib/libchkpt/Makefile
698
src/lib/libderiv/Makefile
699
src/lib/libderiv/MakeVars
700
src/lib/libderiv/libderiv_config.h
701
src/lib/libdpd/Makefile
702
src/lib/libint/Makefile
703
src/lib/libint/MakeVars
704
src/lib/libint/libint_config.h
705
src/lib/libiwl/Makefile
706
src/lib/libpsio/Makefile
707
src/lib/libqt/Makefile
708
src/lib/libr12/Makefile
709
src/lib/libr12/MakeVars
710
src/lib/libr12/libr12_config.h
711
src/lib/libbasis/Makefile
712
src/bin/Makefile src/bin/MakeRules src/bin/MakeVars
714
src/bin/cphf/Makefile
715
src/bin/psi3/Makefile
716
src/bin/ccdensity/Makefile
717
src/bin/ccenergy/Makefile
718
src/bin/cchbar/Makefile
719
src/bin/cclambda/Makefile
720
src/bin/ccsort/Makefile
721
src/bin/cctriples/Makefile
722
src/bin/cceom/Makefile
723
src/bin/cceom-d/Makefile
724
src/bin/ccresponse/Makefile
725
src/bin/cints/Makefile
727
src/bin/clag/Makefile
728
src/bin/cscf/Makefile
729
src/bin/detci/Makefile
730
src/bin/detcas/Makefile
731
src/bin/detcasman/Makefile
732
src/bin/extrema/Makefile
733
src/bin/geom/Makefile
734
src/bin/input/Makefile
736
src/bin/mp2r12/Makefile
737
src/bin/oeprop/Makefile
738
src/bin/optking/Makefile
739
src/bin/psiclean/Makefile
740
src/bin/transqt/Makefile
742
src/bin/dboc/Makefile
743
src/bin/cusp/Makefile
744
src/bin/mocube/Makefile
745
src/bin/localize/Makefile
746
src/bin/stable/Makefile
747
src/bin/response/Makefile
753
tests/scf-opt/Makefile
754
tests/scf-opt2/Makefile
755
tests/scf-opt3/Makefile
756
tests/scf-opt4/Makefile
757
tests/scf-opt5/Makefile
758
tests/scf-opt6/Makefile
759
tests/scf-opt7/Makefile
760
tests/scf-opt8/Makefile
761
tests/scf-opt9/Makefile
762
tests/scf-opt10/Makefile
763
tests/scf-opt11/Makefile
764
tests/scf-opt-numer/Makefile
765
tests/scf-freq/Makefile
766
tests/scf-freq-numer/Makefile
767
tests/scf-freq-symm-numer/Makefile
768
tests/scf-polar/Makefile
769
tests/rhf-oeprop/Makefile
770
tests/rhf-stab/Makefile
771
tests/rhf-stab/rhf-stab.pl
772
tests/uhf-stab/Makefile
773
tests/uhf-stab/uhf-stab.pl
774
tests/rohf-stab/Makefile
775
tests/rohf-stab/rohf-stab.pl
776
tests/cis-sp/Makefile
777
tests/cisd-sp/Makefile
778
tests/cisd-opt-numer/Makefile
779
tests/casscf-sp/Makefile
780
tests/mp2-sp/Makefile
781
tests/mp2-direct-sp/Makefile
782
tests/mp2-oeprop/Makefile
802
tests/dboc-rhf1/Makefile
803
tests/dboc-rohf1/Makefile
804
tests/dboc-uhf1/Makefile
805
tests/dboc-rcisd1/Makefile
806
tests/dboc-rocisd1/Makefile
807
tests/extrema-zmat/Makefile
808
tests/extrema-zmat/extrema-zmat.pl
809
tests/extrema-deloc/Makefile
810
tests/extrema-deloc/extrema-deloc.pl
811
tests/mp2r12-sp1/Makefile
812
tests/mp2-opt-numer/Makefile
813
tests/rhf-lindep1/Makefile
814
tests/rohf-lindep1/Makefile
815
tests/uhf-lindep1/Makefile
816
tests/rohf-grad1/Makefile
817
tests/uhf-grad1/Makefile
818
tests/psi_start/Makefile
819
tests/psi_start/psi_start.pl
821
doc/MakeVars doc/MakeRules doc/Makefile
823
doc/installation/Makefile
824
doc/progman/Makefile doc/userman/Makefile
826
# The following should be added to config_files/ac_output for
827
# libmathtools/ccman. You have to move those lines up above this
829
# src/lib/libmathtools/Makefile
830
# src/lib/libmathtools/containers/templates/Makefile
831
# src/lib/libmathtools/solvers/templates/Makefile
832
# src/lib/libmathtools/general/Makefile
833
# src/lib/libmathtools/tensor/Makefile
834
# src/bin/ccman/Makefile
added
removed
configure.in
