Columbus
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00README,
Columbus.22-jun-92.tar.Z,
Columbus.new.06-oct-94.tar.Z,
README.ccl,
aogrd.tar.Z,
autbas.tar.Z,
batra.tar.Z,
ciden.doc,
ciden.tar.Z,
cidrt.tar.Z,
cigrd.tar.Z,
ciudg.tar.Z,
ciuft.tar.Z,
columbus.new.17-mar-95.tar.Z,
gdiis.doc,
gdiis.f,
global1.3.1.tar.Z,
global2.0.tar.Z,
hermit.tar.Z,
makefile,
mcdrt.tar.Z,
mcscf.tar.Z,
mcuft.tar.Z,
newbas.tar.Z,
property.doc,
property.f,
tcgmsg.4.03.tar.Z
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# makefile.m4 Written by Ron Shepard, shepard@tcg.anl.gov
version V VERSION which WHICH: # setup echo for the version info.
@echo makefile.m4 file version 17-Oct-91 -Ron Shepard
@echo rs6000 makefile created Tue Dec 10 15:14:57 NFT 1991
#
# Note the distinction between the COLUMBUS_DIR make variable and the
# $COLUMBUS shell variable. By default, the former is assigned to the
# latter, and this requires that the environment variable (e.g. exported
# variable) $COLUMBUS be defined as the directory that contains the
# columbus shell scripts and executable files. However, this definition
# may be overridden in the make command line. This is useful for
# debugging, temporary reassignments, etc.
# e.g. %make COLUMBUS_DIR=a/b/c target
#
COLUMBUS_DIR=$$COLUMBUS
# AIX test version for RS6000 ... TK
FORTRAN=f77 -c
FFLAGS=-O
LOADER=f77
LIBS=$(COLUMBUS_DIR)/colib.a -lessl
AR=ar rv
RANLIB=ranlib
.SUFFIXES:
.SUFFIXES: .x .o .f
.o.x: # default loader.
$(LOADER) -o $@ $*.o $(LIBS)
.f.o: #default fortran compilation:
$(FORTRAN) $(FFLAGS) $<
# some versions of make cannot put the above two rules together,
# so this explicit rule should be the same as the above rules.
.f.x: #default compile and load for single-file programs:
$(FORTRAN) $(FFLAGS) $<
$(LOADER) -o $@ $*.o $(LIBS)
#################################################
CMDCOBS=cmdc.o colib6.o colib7.o
colib6.f colib7.f : # if necessary, copy the library files
cp $(COLUMBUS_DIR)/source/colib/$@ .
cmdc.x: $(CMDCOBS)
$(LOADER) -o $@ $(CMDCOBS)
#################################################
COLIBROOT=colib1.f colib2.f colib3.f colib4.f colib5.f \
colib6.f colib7.f colib8.f colib9.f
COLIBFORS=$(COLIBROOT)
#
# this complicated procedure is used for building libraries because
# otherwise, members are loaded by file and not by subroutine.
#
# [make must spawn processes with /bin/sh for this script to work
# correctly. This is almost always the default, but in case it
# isn't, try "setenv SHELL /bin/sh" in your ~.login. -rls]
#
colib.a: $(COLIBFORS)
(WORK_DIR=TMP.$$$$ ;\
mkdir $$WORK_DIR ;\
cd $$WORK_DIR ;\
pwd ;\
for i in $? ;do \
fsplit ../$$i ;\
rm -f zzz*.f ;\
for j in *.f ;do \
$(FORTRAN) $(FFLAGS) $$j ;\
done ;\
$(AR) ../$@ *.o ;\
rm * ;\
done ;\
cd ../ ;\
rmdir $$WORK_DIR ;\
$(RANLIB) $@ )
# (21-mar-91) -rls
# The previous sequence is equivalent to the following:
# $(COLUMBUS_DIR)/libupdate $@ "$(FORTRAN)" "$(FFLAGS)" "$(AR)" $?
# $(RANLIB) $@
colib.x: colib.a #fictitious target. another way to make colib.a
echo colib.x target redirected to colib.a
#################################################
tpack.x: tpack.o colib3.o #for debugging bit-packing routines.
$(LOADER) -o $@ tpack.o colib3.o $(LIBS)
#################################################
testmm.x: testmm.o colib1.o #for debugging matrix routines.
$(LOADER) -o $@ testmm.o colib1.o $(LIBS)
#################################################
mmulb.x: mmulb.o colib1.o #for benchmarking and tuning matrix routines.
$(LOADER) -o $@ mmulb.o colib1.o $(LIBS)
#################################################
ARGOSOBS=argos1.o argos2.o argos3.o argos4.o argos5.o argos6.o
argos.x: $(ARGOSOBS)
$(LOADER) -o $@ $(ARGOSOBS) $(LIBS)
p_argos.x: $(ARGOSOBS) # parallel version
$(LOADER) -o $@ $(ARGOSOBS) $(PLIBS) $(LIBS)
#################################################
CNVRTOBS=cnvrt.o
cnvrt.x: $(CNVRTOBS)
$(LOADER) -o $@ $(CNVRTOBS) $(LIBS)
p_cnvrt.x: $(CNVRTOBS) # parallel version
$(LOADER) -o $@ $(CNVRTOBS) $(PLIBS) $(LIBS)
#################################################
SCFPQOBS=scfpq1.o scfpq2.o
scfpq.x: $(SCFPQOBS)
$(LOADER) -o $@ $(SCFPQOBS) $(LIBS)
p_scfpq.x: $(SCFPQOBS) # parallel version
$(LOADER) -o $@ $(SCFPQOBS) $(PLIBS) $(LIBS)
#################################################
MCDRTOBS=mcdrt1.o mcdrt2.o
mcdrt.x: $(MCDRTOBS)
$(LOADER) -o $@ $(MCDRTOBS) $(LIBS)
#################################################
SIF2ANLOBS=sif2anl1.o sif2anl2.o # temporary file-conversion program
sif2anl.x: $(SIF2ANLOBS)
$(LOADER) -o $@ $(SIF2ANLOBS) $(LIBS)
#################################################
MCSCFOBS=mcscf1.o mcscf2.o mcscf3.o mcscf4.o mcscf5.o mcscf6.o \
mcscf7.o mcscf8.o mcscf9.o
mcscf.x: $(MCSCFOBS)
$(LOADER) -o $@ $(MCSCFOBS) $(LIBS)
#################################################
CIDRTOBS=cidrt1.o cidrt2.o cidrt3.o cidrt4.o
cidrt.x: $(CIDRTOBS)
$(LOADER) -o $@ $(CIDRTOBS) $(LIBS)
#################################################
CIUFTOBS=ciuft1.o ciuft2.o
ciuft.x: $(CIUFTOBS)
$(LOADER) -o $@ $(CIUFTOBS) $(LIBS)
#################################################
CISRTOBS=cisrt1.o cisrt2.o cisrt3.o
cisrt.x: $(CISRTOBS)
$(LOADER) -o $@ $(CISRTOBS) $(LIBS)
#################################################
TRANOBS=tran1.o tran2.o tran3.o tran4.o tran5.o \
tran6.o tran7.o tran8.o tran9.o
tran.x: $(TRANOBS)
$(LOADER) -o $@ $(TRANOBS) $(LIBS)
#################################################
CIDENOBS=ciden1.o ciden2.o ciden3.o ciden4.o ciden5.o \
ciden6.o ciden7.o ciden8.o ciden9.o ciden10.o \
ciden11.o
ciden.x: $(CIDENOBS)
$(LOADER) -o $@ $(CIDENOBS) $(LIBS)
#################################################
CIGRDOBS=cigrd1.o cigrd2.o cigrd3.o cigrd4.o cigrd5.o \
cigrd6.o
cigrd.x: $(CIGRDOBS)
$(LOADER) -o $@ $(CIGRDOBS) $(LIBS)
#################################################
BATRAOBS=batra1.o batra2.o batra3.o
batra.x: $(BATRAOBS)
$(LOADER) -o $@ $(BATRAOBS) $(LIBS)
#################################################
AOGRDOBS=aogrd1.o aogrd2.o aogrd3.o aogrd4.o
aogrd.x: $(AOGRDOBS)
$(LOADER) -o $@ $(AOGRDOBS) $(LIBS)
#################################################
CIUDGOBS1=ciudg1.o ciudg9.o ciudg11.o
CIUDGOBS2=ciudg2.o ciudg3.o ciudg4.o ciudg5.o ciudg6.o \
ciudg7.o ciudg8.o ciudg10.o
ciudg.x: $(CIUDGOBS1) $(CIUDGOBS2)
$(LOADER) -lessl -o $@ $(CIUDGOBS1) $(CIUDGOBS2) $(LIBS)
######################################################################
######################################################################
## ##
## production command section ##
## ##
######################################################################
######################################################################
#
# This section defines file dependencies among the COLUMBUS programs
# for production runs. A complete series of codes may be executed
# with a single command such as "make cienergy".
# If desired, this production section may be separated from the above
# program-construction section provided the COLUMBUS_DIR variable
# definition is copied.
#
# The executable filenames are defined such that they may be reassigned
# on the make command line. For example:
# %make ARGOS.X=some/other/directory/a.out aoints
# Also, there is a PREFIX symbol which can be used to insert a command
# line string immediately before each program. For example:
# %make PREFIX="hpm -g 0" cienergy
# will cause hpm to monitor each program step on a cray. Also, each
# individual program has its own prefix and postfix string for temporary
# modification of individual program steps.
#################################################
ARGOS.X=$(COLUMBUS_DIR)/argos.x
argosls aoints: argosin
$(PREFIX) $(PRE_ARGOS) $(ARGOS.X) $(POST_ARGOS)
#################################################
MCUFT.X=$(COLUMBUS_DIR)/mcuft.x
mcuftls mcoftfl: mcdrtfl mcuftin
$(PREFIX) $(PRE_MCUFT) $(MCUFT.X) $(POST_MCUFT)
mcuftin: #not required yet
touch mcuftin
#################################################
SIF2ANL.X=$(COLUMBUS_DIR)/sif2anl.x
anlints sif2anlls: aoints
$(PREFIX) $(PRE_SIF2ANL) $(SIF2ANL.X) $(POST_SIF2ANL)
MCSCF.X=$(COLUMBUS_DIR)/mcscf.x
mcenergy restart mcscfls mcscfsm: mcscfin mcoftfl anlints
$(PREFIX) $(PRE_MCSCF) $(MCSCF.X) $(POST_MCSCF)
#################################################
MOFMT.X=$(COLUMBUS_DIR)/mofmt.x
mocoef mofmtls: restart mofmtin
$(PREFIX) $(PRE_MOFMT) $(MOFMT.X) $(POST_MOFMT) mofmtls
#################################################
TRAN.X=$(COLUMBUS_DIR)/tran.x
moints tranls: aoints cidrtfl mocoef tranin
$(PREFIX) $(PRE_TRAN) $(TRAN.X) $(POST_TRAN)
#################################################
CIUFT.X=$(COLUMBUS_DIR)/ciuft.x
ciuftls ciftofl: cidrtfl ciuftin
$(PREFIX) $(PRE_CIUFT) $(CIUFT.X) $(POST_CIUFT)
ciuftin: #not required yet
touch ciuftin
#################################################
CISRT.X=$(COLUMBUS_DIR)/cisrt.x
cisrtls fil4x: moints cisrtin
$(PREFIX) $(PRE_CISRT) $(CISRT.X) $(POST_CISRT)
#################################################
CIUDG.X=$(COLUMBUS_DIR)/ciudg.x
cienergy ciudgls ciudgsm: ciudgin fil4x ciftofl
$(PREFIX) $(PRE_CIUDG) $(CIUDG.X) $(POST_CIUDG)
#################################################
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