Commit c21e4b71 authored by lheinz's avatar lheinz
Browse files

initial changes to make it work with more recent gromacs version

parent 1834e030
......@@ -25,8 +25,10 @@ LIBDIR = $(EXEC_PREFIX)/lib
INCDIR = $(EXEC_PREFIX)/include
# pointer to your Gromacs installation - please adjust
GMXDIR = ../../gromacs
GMXLIB = $(GMXDIR)/src/gmxlib
GMXDIR = /usr/local/gromacs/3.3/334-impi403-fftw331-gcc470
#/usr/local/gromacs/5.1/514-impi2017-fftw332-gcc540-cuda80
#/usr/local/gromacs/3.3/334-impi403-fftw331-gcc470
GMXLIB = $(GMXDIR)/lib
GMXINC = $(GMXDIR)/include/gromacs
# Source of the installation. No need to change this
......@@ -37,9 +39,9 @@ LDFLAGS = -L$(GMXLIB) -lm
INCFLAGS = -I$(SRCDIR)/include -I$(GMXINC)
LDSOFLAGS = -shared -Wl,-soname,
#for compilation on 64bit systems uncomment the following line
#CFLAGS = -O0 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -fPIC -DPIC -funroll-all-loops -ggdb
CFLAGS = -O0 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -fPIC -DPIC -funroll-all-loops -ggdb
#for compilation on 32bit systems uncomment the following line
CFLAGS = -O0 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double -funroll-all-loops -ggdb
#CFLAGS = -O0 -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double -funroll-all-loops -ggdb
OBJS = lap.o memory.o
EXE = liblap.so
......
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File added
......@@ -12,7 +12,9 @@ LIBDIR = $(EXEC_PREFIX)/lib
BINDIR = $(EXEC_PREFIX)/bin
# pointer to your Gromacs installation - adjust only if you did *NOT* use the installation script instGMX331.sh supplied with the distribution
GMXDIR = ../../gromacs
GMXDIR = /usr/local/gromacs/3.3/334-impi403-fftw331-gcc470
#/usr/local/gromacs/5.1/514-impi2017-fftw332-gcc540-cuda80
#/usr/local/gromacs/3.3/334-impi403-fftw331-gcc470
GMXLIB = $(GMXDIR)/lib
GMXINC = $(GMXDIR)/include/gromacs
......@@ -23,9 +25,9 @@ CC = cc
LDFLAGS = -L/usr/lib -L/usr/local/lib -L$(GMXLIB) -L$(LIBDIR) -lm -llap -lgmx
INCFLAGS = -I$(SRCDIR)/include -I..//include -I$(GMXINC)
#for compilation on 64bit systems uncomment the following line
#CFLAGS = -O0 -g -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops -ggdb
CFLAGS = -O0 -g -fomit-frame-pointer -finline-functions -Wall -Wno-unused -funroll-all-loops -ggdb
#for compilation on 32bit systems uncomment the following line
CFLAGS = -O0 -g -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double -funroll-all-loops -ggdb
#CFLAGS = -O0 -g -fomit-frame-pointer -finline-functions -Wall -Wno-unused -malign-double -funroll-all-loops -ggdb
LDSOFLAGS = -Wl
OBJS = g_permute.o
......
File added
......@@ -40,7 +40,7 @@
#include "copyrite.h"
#include "sysstuff.h"
#include "txtdump.h"
#include "fatal.h"
/*#include "fatal.h"*/
#include "xtcio.h"
#include "enxio.h"
#include "assert.h"
......
File added
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