working PBC

[unres4.git] / source / unres / Makefile

diff --git a/source/unres/Makefile b/source/unres/Makefile
index c1e9c7a..86c700c 100644 (file)
--- a/source/unres/Makefile
+++ b/source/unres/Makefile
@@ -46,9 +46,9 @@ data = names.o io_units.o calc_data.o compare_data.o control_data.o \
 
 objects = xdrf/*.o \
        prng_32.o math.o random.o geometry.o md_calc.o io_base.o energy.o check_bond.o muca_md.o\
-       control.o io_config.o MPI.o minim.o \
+       control.o io_config.o MPI.o minim.o fdisy.o fdiag.o machpd.o \
        regularize.o compare.o map.o REMD.o MCM_MD.o io.o \
-       MD.o MREMD.o CSA.o unres.o
+       MD.o MREMD.o CSA.o unres.o quindibisectok.o quindet2ok.o
 
 
 #${EXE_FILE}: ${objects}
@@ -99,6 +99,15 @@ E0LL2Y: ${data} ${objects}
        ${FC} ${FFLAGS} cinfo.f90
        ${FC} ${OPT} ${data} ${objects} cinfo.o -o ${EXE_FILE}
 
+NEWGRAD: CPPFLAGS = -DPROCOR -DLINUX -DPGI -DAMD64 -DUNRES -DISNAN -DMP -DMPI \
+        -DSPLITELE -DLANG0 -DCARGRAD -DFIVEDIAG
+NEWGRAD: EXE_FILE = ../../bin/unres_E0LL2Y_F90_EL-NEWG.exe
+NEWGRAD: ${data} ${objects}
+       cc -o compinfo compinfo.c
+       ./compinfo | true
+       ${FC} ${FFLAGS} cinfo.f90
+       ${FC} ${OPT} ${data} ${objects} cinfo.o -o ${EXE_FILE}
+
 
 xdrf/*.o:
        cd xdrf && make
@@ -221,3 +230,18 @@ CSA.o: CSA.f90
 
 unres.o: unres.f90
        ${FC} ${FFLAGS} ${CPPFLAGS} unres.f90
+
+quindibisectok.o: quindibisectok.F90
+       ${FC} ${FFLAGS} ${CPPFLAGS} quindibisectok.F90
+
+quindet2ok.o: quindet2ok.F90
+       ${FC} ${FFLAGS} ${CPPFLAGS} quindet2ok.F90
+
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