X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FMakefile;fp=source%2Fwham%2Fsrc%2FMakefile;h=6851373710a408c55cfee76b674a57926641f099;hb=7fcc0efe632e299b8b944facdca6b9320c8c78da;hp=8453cddeb7b08caf0a886e4bb11a3abc3a14980c;hpb=05283f438be84bc574c0d6aad77f39de1303d679;p=unres.git

diff --git a/source/wham/src/Makefile b/source/wham/src/Makefile
deleted file mode 120000
index 8453cdd..0000000
--- a/source/wham/src/Makefile
+++ /dev/null
@@ -1 +0,0 @@
-Makefile_MPICH_ifort
\ No newline at end of file
diff --git a/source/wham/src/Makefile b/source/wham/src/Makefile
new file mode 100644
index 0000000..6851373
--- /dev/null
+++ b/source/wham/src/Makefile
@@ -0,0 +1,69 @@
+INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
+BIN = ../../../bin/wham/
+FC= ifort
+#OPT = -mcmodel=medium -O3 -ip -w
+OPT = -mcmodel=medium -g -CB
+FFLAGS = ${OPT} -c -I. -I./include_unres -I$(INSTALL_DIR)/include
+LIBS = -L$(INSTALL_DIR)/lib -lmpich -lpmpich ../../lib/xdrf/libxdrf.a
+CPPFLAGS = -DMPI -DLINUX -DUNRES -DSPLITELE -DPROCOR -DPGI -DISNAN -DAMD64 \
+	-DCRYST_BOND -DCRYST_THETA -DCRYST_SC
+
+.f.o:
+	${FC} ${FFLAGS} $*.f
+
+.F.o:
+	${FC} ${FFLAGS} ${CPPFLAGS} $*.F
+
+all: make_dbase
+
+objects = \
+	wham_multparm.o \
+	bxread.o \
+	xread.o \
+	cxread.o \
+	enecalc1.o \
+	energy_p_new.o \
+	initialize_p.o \
+	molread_zs.o \
+	openunits.o \
+        gnmr1.o \
+	readrtns.o \
+	arcos.o \
+	cartder.o \
+	cartprint.o \
+	chainbuild.o \
+	geomout.o \
+	icant.o \
+	intcor.o \
+	int_from_cart.o \
+	make_ensemble1.o \
+	matmult.o \
+	misc.o \
+	mygetenv.o \
+	parmread.o \
+	pinorm.o \
+	printmat.o \
+	proc_proc.o \
+	rescode.o \
+	setup_var.o \
+	slices.o \
+	store_parm.o \
+	timing.o \
+	wham_calc1.o
+
+objects_compar = \
+        readrtns_compar.o \
+        readpdb.o fitsq.o contact.o \
+        elecont.o contfunc.o cont_frag.o conf_compar.o match_contact.o \
+        angnorm.o odlodc.o promienie.o qwolynes.o read_ref_str.o \
+        rmscalc.o secondary.o proc_cont.o define_pairs.o mysort.o
+
+make_dbase: ${objects} ${objects_compar}
+	cc -o compinfo compinfo.c
+	./compinfo
+	${FC} -c ${FFLAGS} cinfo.f
+	$(FC) ${OPT} ${objects} ${objects_compar} cinfo.o \
+	${LIBS} -static-intel -o ${BIN}/wham_multparm-ham_rep-oldparm
+
+clean:
+	/bin/rm *.o