diff --git a/tools/rpm/lammps.spec b/tools/rpm/lammps.spec index 5be268dfb5..787720c3b8 100644 --- a/tools/rpm/lammps.spec +++ b/tools/rpm/lammps.spec @@ -12,6 +12,12 @@ %global with_openmpi 0 %endif +%ifarch x86_64 +%global bigintsize -DLAMMPS_SMALLBIG +%else +%global bigintsize -DLAMMPS_SMALLSMALL +%endif + %if %{defined suse_version} %global with_suse 1 %global _openmpi_load : @@ -125,19 +131,19 @@ This package contains the LAMMPS Python module %build # build supporting libraries for MPI stubs cd lib/atc -make -f Makefile.g++ CC=g++ CCFLAGS="-fPIC -I../../src -I../../src/STUBS ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.linalg +make -f Makefile.g++ CC=g++ CCFLAGS="-fPIC -I../../src -I../../src/STUBS ${RPM_OPT_FLAGS} %{bigintsize}" EXTRAMAKE=Makefile.lammps.linalg cd ../awpmd -make -f Makefile.openmpi CC=g++ CCFLAGS="-fPIC -Isystems/interact/TCP/ -Isystems/interact -Iivutils/include ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.linalg +make -f Makefile.openmpi CC=g++ CCFLAGS="-fPIC -Isystems/interact/TCP/ -Isystems/interact -Iivutils/include ${RPM_OPT_FLAGS} %{bigintsize}" EXTRAMAKE=Makefile.lammps.linalg cd ../colvars -make -f Makefile.g++ CXX=g++ CXXFLAGS="-fPIC ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.empty +make -f Makefile.g++ CXX=g++ CXXFLAGS="-fPIC ${RPM_OPT_FLAGS} %{bigintsize}" EXTRAMAKE=Makefile.lammps.empty cd ../linalg make -f Makefile.gfortran FC=gfortran FFLAGS="-fPIC ${RPM_OPT_FLAGS}" FFLAGS0="${RPM_OPT_FLAGS} -O0 -fPIC" cd ../meam make -f Makefile.gfortran F90=gfortran F90LAGS="-fPIC ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.gfortran cd ../poems -make -f Makefile.g++ CC=g++ CCFLAGS="-fPIC ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.empty +make -f Makefile.g++ CC=g++ CCFLAGS="-fPIC ${RPM_OPT_FLAGS} %{bigintsize}" EXTRAMAKE=Makefile.lammps.empty cd ../voronoi -make -f Makefile.g++ CXX=g++ CXXFLAGS="-fPIC ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.empty +make -f Makefile.g++ CXX=g++ CXXFLAGS="-fPIC ${RPM_OPT_FLAGS} %{bigintsize}" EXTRAMAKE=Makefile.lammps.empty # now build in main source directory cd ../../src @@ -148,12 +154,12 @@ make yes-all no-kim no-gpu no-user-cuda no-reax make -C STUBS -make g++ CC=g++ CCFLAGS="${RPM_OPT_FLAGS} -fopenmp -fPIC" LINK=g++ LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG" MPI_INC="-I../STUBS" MPI_PATH="-L../STUBS" MPI_LIB=-lmpi_stubs FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg +make g++ CC=g++ CCFLAGS="${RPM_OPT_FLAGS} -fopenmp -fPIC" LINK=g++ LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG %{bigintsize}" MPI_INC="-I../STUBS" MPI_PATH="-L../STUBS" MPI_LIB=-lmpi_stubs FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg # build shared library for python bindings mv Obj_g++ Obj_shlib_g++ make makeshlib -make -f Makefile.shlib g++ CC=g++ CCFLAGS="${RPM_OPT_FLAGS} -fopenmp" LINK=g++ LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG" MPI_INC="-I../STUBS" MPI_PATH="-L../STUBS" MPI_LIB=-lmpi_stubs FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg +make -f Makefile.shlib g++ CC=g++ CCFLAGS="${RPM_OPT_FLAGS} -fopenmp" LINK=g++ LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG %{bigintsize}" MPI_INC="-I../STUBS" MPI_PATH="-L../STUBS" MPI_LIB=-lmpi_stubs FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg mv Obj_shlib_g++ Obj_g++ # stash executable and shared lib away @@ -183,13 +189,13 @@ gfortran -o serial/chain.x ${RPM_OPT_FLAGS} tools/chain.f # need to rebuild lib/atc cd lib/atc make -f Makefile.g++ clean -make -f Makefile.g++ CC=mpicxx CCFLAGS="-fPIC -I../../src -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.linalg +make -f Makefile.g++ CC=mpicxx CCFLAGS="-fPIC -I../../src -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 ${RPM_OPT_FLAGS} %{bigintsize}" EXTRAMAKE=Makefile.lammps.linalg # back to main source dir cd ../../src make clean-g++ -make g++ CC=mpicxx CCFLAGS="${RPM_OPT_FLAGS} -fopenmp" LINK=mpicxx LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG" MPI_INC="" MPI_PATH="" MPI_LIB="" FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg +make g++ CC=mpicxx CCFLAGS="${RPM_OPT_FLAGS} -fopenmp" LINK=mpicxx LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG %{bigintsize}" MPI_INC="" MPI_PATH="" MPI_LIB="" FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg # and save the executable cd ../ @@ -206,13 +212,13 @@ mv src/lmp_g++ openmpi/ # need to rebuild lib/atc cd lib/atc make -f Makefile.g++ clean -make -f Makefile.g++ CC=mpicxx CCFLAGS="-fPIC -I../../src -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 ${RPM_OPT_FLAGS}" EXTRAMAKE=Makefile.lammps.linalg +make -f Makefile.g++ CC=mpicxx CCFLAGS="-fPIC -I../../src -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 ${RPM_OPT_FLAGS} %{bigintsize}" EXTRAMAKE=Makefile.lammps.linalg # back to main source dir cd ../../src make clean-g++ -make g++ CC=mpicxx CCFLAGS="${RPM_OPT_FLAGS} -fopenmp" LINK=mpicxx LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG" MPI_INC="" MPI_PATH="" MPI_LIB="" FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg +make g++ CC=mpicxx CCFLAGS="${RPM_OPT_FLAGS} -fopenmp" LINK=mpicxx LINKFLAGS="${RPM_LD_FLAGS} -fopenmp" LMP_INC="-DLAMMPS_GZIP -DLAMMPS_JPEG %{bigintsize}" MPI_INC="" MPI_PATH="" MPI_LIB="" FFT_INC=-DFFT_FFTW3 FFT_LIB=-lfftw3 JPG_LIB=-ljpeg # and save the executable cd ../