X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FMakefile;h=6584c5e5e6ebad122c26eb355c215bc2f7448f84;hb=83bfd1e75fe4d7f79f4ec4b52f17743cb16a1fb2;hp=54399d1b671f965f4aea7fbb24ef3df50cbe3a4f;hpb=a20d7ba73b9caa74140350c4c97fa62d83711703;p=unres.git

diff --git a/source/unres/src_MD/Makefile b/source/unres/src_MD/Makefile
deleted file mode 100644
index 54399d1..0000000
--- a/source/unres/src_MD/Makefile
+++ /dev/null
@@ -1,124 +0,0 @@
-INSTALL_DIR = /users/software/mpich-1.2.7p1_intel-10.1_em64_ssh
-
-
-FC= ifort
-
-OPT =  -g -ip -w -CB 
-
-FFLAGS = -c ${OPT} -I$(INSTALL_DIR)/include 
-FFLAGS1 = -c -w -g -d2 -CA -CB -I$(INSTALL_DIR)/include 
-FFLAGS2 = -c -w -g -O0 -I$(INSTALL_DIR)/include  
-FFLAGSE = -c -w -O3 -CB -ipo -ipo_obj  -opt_report -I$(INSTALL_DIR)/include
-
-
-LIBS = -L$(INSTALL_DIR)/lib -lmpich xdrf/libxdrf.a
-
-ARCH = LINUX
-PP = /lib/cpp -P
-
-
-all: unres
-
-.SUFFIXES: .F
-.F.o:
-	${FC} ${FFLAGS} ${CPPFLAGS} $*.F
-
-
-object = unres.o arcos.o cartprint.o chainbuild.o convert.o initialize_p.o \
-        matmult.o readrtns.o parmread.o gen_rand_conf.o printmat.o map.o \
-        pinorm.o randgens.o rescode.o intcor.o timing.o misc.o intlocal.o \
-        cartder.o checkder_p.o econstr_local.o energy_p_new_barrier.o \
-	energy_p_new-sep_barrier.o gradient_p.o minimize_p.o sumsld.o \
-        cored.o rmdd.o geomout.o readpdb.o regularize.o thread.o fitsq.o mcm.o \
-        mc.o bond_move.o refsys.o check_sc_distr.o check_bond.o contact.o djacob.o \
-        eigen.o blas.o add.o entmcm.o minim_mcmf.o \
-        MP.o compare_s1.o prng.o \
-        banach.o rmsd.o elecont.o dihed_cons.o \
-        sc_move.o local_move.o \
-        intcartderiv.o lagrangian_lesyng.o\
-	stochfric.o kinetic_lesyng.o MD_A-MTS.o moments.o int_to_cart.o \
-        surfatom.o sort.o muca_md.o MREMD.o rattle.o gauss.o energy_split-sep.o \
-        q_measure.o gnmr1.o test.o
-
-GAB: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0 -DCRYST_BOND -DCRYST_THETA -DCRYST_SC\
-        -DSCCORPDB
-GAB: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_GAB.exe
-GAB: ${object} xdrf/libxdrf.a
-	cc -o compinfo compinfo.c
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
-
-E0LL2Y: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DUNRES -DISNAN -DMP -DMPI \
-	-DSPLITELE -DLANG0
-E0LL2Y: BIN = ../../../bin/unres/MD/unres_ifort_MPICH_E0LL2Y.exe
-E0LL2Y: ${object} xdrf/libxdrf.a
-	cc -o compinfo compinfo.c
-	./compinfo | true
-	${FC} ${FFLAGS} cinfo.f
-	${FC} ${OPT} ${object} cinfo.o ${LIBS}  -o ${BIN}
-
-xdrf/libxdrf.a:
-	cd xdrf && make
-
-
-clean:
-	/bin/rm -f *.o && /bin/rm -f compinfo && cd xdrf && make clean
-
-test.o: test.F
-	${FC} ${FFLAGS} ${CPPFLAGS} test.F
-
-chainbuild.o: chainbuild.F
-	${FC} ${FFLAGS} ${CPPFLAGS} chainbuild.F
-
-matmult.o: matmult.f
-	${FC} ${FFLAGS} ${CPPFLAGS} matmult.f
-
-parmread.o : parmread.F
-	${FC} ${FFLAGS} ${CPPFLAGS} parmread.F
-
-intcor.o : intcor.f
-	${FC} ${FFLAGS} ${CPPFLAGS} intcor.f
-
-cartder.o : cartder.F
-	${FC} ${FFLAGS} ${CPPFLAGS} cartder.F
-
-readpdb.o : readpdb.F
-	${FC} ${FFLAGS2} ${CPPFLAGS} readpdb.F
-
-sumsld.o : sumsld.f
-	${FC} ${FFLAGS} ${CPPFLAGS} sumsld.f
-        
-cored.o : cored.f
-	${FC} ${FFLAGS1} ${CPPFLAGS} cored.f
- 
-rmdd.o : rmdd.f
-	${FC} ${FFLAGS} ${CPPFLAGS} rmdd.f
-
-energy_p_new_barrier.o : energy_p_new_barrier.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new_barrier.F
-
-gradient_p.o : gradient_p.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} gradient_p.F
-
-energy_p_new-sep_barrier.o : energy_p_new-sep_barrier.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} energy_p_new-sep_barrier.F
-
-lagrangian_lesyng.o : lagrangian_lesyng.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} lagrangian_lesyng.F
-
-MD_A-MTS.o : MD_A-MTS.F
-	${FC} ${FFLAGSE} ${CPPFLAGS} MD_A-MTS.F
-
-blas.o : blas.f
-	${FC} ${FFLAGS1} blas.f
-
-add.o : add.f
-	${FC} ${FFLAGS1} add.f
-
-eigen.o : eigen.f
-	${FC} ${FFLAGS2} eigen.f
-
-proc_proc.o: proc_proc.c
-	${CC} ${CFLAGS} proc_proc.c
diff --git a/source/unres/src_MD/Makefile b/source/unres/src_MD/Makefile
new file mode 120000
index 0000000..6584c5e
--- /dev/null
+++ b/source/unres/src_MD/Makefile
@@ -0,0 +1 @@
+Makefile_single_ifort
\ No newline at end of file