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libnwchem patch (compile as shared) #13

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libnwchem patch (compile as shared) #13

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c538ebc
libnwchem patch (compile as shared)
frobnitzem Jan 30, 2018
383cf9a
Removed strings from nwchem_init.
frobnitzem Feb 2, 2018
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34 changes: 29 additions & 5 deletions src/GNUmakefile
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Original file line number Diff line number Diff line change
Expand Up @@ -17,6 +17,7 @@ ifeq ($(XLFMAC),y)
endif

NWBINNAME = nwchem
NWLIBNAME = libnwchem.so

#
# This should be the first target so that a simple make builds
Expand All @@ -29,7 +30,16 @@ endif
.PHONY: nwchem_config

.PRECIOUS: $(BINDIR)/$(NWBINNAME) $(NWBINNAME)
all $(BINDIR)/$(NWBINNAME) $(NWBINNAME): directories libraries

all: nwchem

nwchem: $(BINDIR)/$(NWBINNAME)
echo "Built $@"

libnwchem: $(LIBDIR)/$(NWLIBNAME)
echo "Built $@"

$(BINDIR)/$(NWBINNAME): directories libraries
@/bin/rm -f nwchem.o stubs.o
$(MAKE) nwchem.o stubs.o
ifeq ($(TARGET),SOLARIS)
Expand All @@ -40,7 +50,7 @@ ifdef SUMO
$(AR) rcv $(LIBDIR)/libnwchem-sumo.a $(LIBDIR)/objs/*.o
$(RANLIB) $(LIBDIR)/libnwchem-sumo.a
endif
/bin/rm -f nwchem.o stubs.o
@/bin/rm -f nwchem.o stubs.o
$(INSTALL)
#
# This to link only and avoid tedious subdir makes
Expand All @@ -50,6 +60,20 @@ PFLAGS = -messages=first -leaks-at-exit=yes -follow-child-processes=yes \
-windows=no -cache-dir=/tmp/purify/cache -best-effort
#PURIFY = purify $(PFLAGS)

$(LIBDIR)/$(NWLIBNAME): directories libraries
@/bin/rm -f libnwchem.o stubs.o
$(MAKE) libnwchem.o stubs.o
ifeq ($(TARGET),SOLARIS)
/bin/rm -f $(LIBDIR)/$(NWLIBNAME)
endif
$(LINK.f) -shared -fPIC \
-o $(LIBDIR)/$(NWLIBNAME) libnwchem.o stubs.o \
-Wl,--allow-multiple-definition \
-Wl,--whole-archive -lnwctask -lnwcutil -Wl,--no-whole-archive \
-Wl,--start-group $(LIBS) -Wl,--end-group -Wl,--no-undefined
@/bin/rm -f libnwchem.o stubs.o
$(INSTALL)

link nwchem_link:
@/bin/rm -f nwchem.o stubs.o
$(MAKE) nwchem.o stubs.o
Expand All @@ -61,7 +85,6 @@ ifdef SUMO
$(AR) rcv $(LIBDIR)/libnwchem-sumo.a $(LIBDIR)/objs/*.o
$(RANLIB) $(LIBDIR)/libnwchem-sumo.a
endif
# /bin/rm -f nwchem.o stubs.o
$(INSTALL)

ccalink:
Expand Down Expand Up @@ -99,7 +122,7 @@ endif
# This dependency so that includes which are made by libraries rule
# are updated before nwchem is compiled

libraries:
libraries: $(SUBDIRS)
@for dir in $(SUBDIRS); do \
echo Making $@ in $$dir; \
$(MAKE) -C $$dir || exit 1 ; \
Expand Down Expand Up @@ -195,6 +218,7 @@ ifeq ($(NWCHEM_MODULES),)
else
$(MAKE) -C config -f make_nwchem_config NWCHEM_MODULES="$(NWCHEM_MODULES)"
endif
touch $@

#
# This is a convenience target that will make the TAGS file for current
Expand Down Expand Up @@ -234,7 +258,7 @@ stripdepend:

.PHONY: source
source:
cat stubs.F nwchem.F > source
cat stubs.F nwchem.F libnwchem.F > source
ifdef SUBDIRS
for dir in $(SUBDIRS); do \
$(MAKE) -C $$dir $@ || exit 1 ; \
Expand Down
2 changes: 2 additions & 0 deletions src/diana/dia_rdhdr.F
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Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,8 @@ subroutine dia_rdhdr(sgmnam)
#include "dia_common.fh"
#include "mafdecls.fh"
c
c throws dia_rdhdr.F: undefined reference to `ftell_' on
c GNU Fortran (Ubuntu 4.9.1-16ubuntu6) 4.9.1
integer ftell
external ftell
c
Expand Down
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