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#!/usr/bin/make -f
#
# build script for GROMACS
# export DH_VERBOSE=1
PACKAGE := gromacs
# OpenMPI is only supported on a subset of architectures at this time.
# This list should remain synced with the Build-Depends and the Architecture
# line of gromacs-openmpi in debian/control.
OPENMPI_ARCH = alpha amd64 armel armhf i386 ia64 powerpc powerpcspe sparc sparc64 kfreebsd-i386 kfreebsd-amd64 hurd-i386
DEB_HOST_ARCH ?= $(shell dpkg-architecture -qDEB_HOST_ARCH)
# add hardening flags, using hardening-wrapper
export DEB_BUILD_HARDENING=1
CFLAGS =
ifneq (,$(findstring debug,$(DEB_BUILD_OPTIONS)))
CFLAGS += -g -Wall
endif
ifneq (,$(findstring noopt,$(DEB_BUILD_OPTIONS)))
CFLAGS += -O0
endif
LDFLAGS += -Wl,--as-needed
COMMON_CONFIG_PARAMS = \
$(CURDIR) \
-DCMAKE_INSTALL_PREFIX="/usr" \
-DCMAKE_EXE_LINKER_FLAGS="$(LDFLAGS)" \
-DCMAKE_SKIP_RPATH=TRUE \
-DGMX_X11=ON
ifneq ($(CFLAGS),)
COMMON_CONFIG_PARAMS += -DCMAKE_C_FLAGS="$(CFLAGS)"
endif
# Include "gpu" in DEB_BUILD_OPTIONS to build GPU-accelerated binaries as well.
# See INSTALL-GPU. This build option is not tested, please send comments.
# You must have OpenMM development headers (not packaged) and "nvidia-cuda-dev"
# installed!
ifneq (,$(findstring gpu,$(DEB_BUILD_OPTIONS)))
COMMON_CONFIG_PARAMS += -DGMX_OPENMM=ON -DGMX_THREADS=OFF
endif
MPICH_CONFIG_PARAMS = \
-DGMX_MPI=ON \
-DGMX_THREADS=OFF \
-DGMX_X11=OFF \
-DGMX_DEFAULT_SUFFIX=FALSE
OPENMPI_CONFIG_PARAMS = \
-DGMX_MPI=ON \
-DGMX_THREADS=OFF \
-DGMX_DEFAULT_SUFFIX=FALSE \
-DGMX_FORTRAN=OFF \
-DGMX_X11=OFF \
-DCMAKE_EXE_LINKER_FLAGS="-L/usr/lib/openmpi/lib $(LDFLAGS)"
# optional parallel build
ifneq (,$(filter parallel=%,$(DEB_BUILD_OPTIONS)))
NUMJOBS = $(patsubst parallel=%,%,$(filter parallel=%,$(DEB_BUILD_OPTIONS)))
MAKE += -j$(NUMJOBS)
endif
# gfortran transition: configure script looks for f77/g77 binaries, not f95/g95/gfortran
# FORTRAN inner loops are used on Alpha only
ifneq (,$(findstring alpha,$(DEB_HOST_ARCH)))
export F77=/usr/bin/gfortran
endif
configure: configure-stamp
configure-stamp:
dh_testdir
(mkdir -p build/basic; cd build/basic; cmake $(COMMON_CONFIG_PARAMS) -DGMX_MPI=OFF)
(mkdir -p build/basic-dp; cd build/basic-dp; cmake $(COMMON_CONFIG_PARAMS) -DGMX_MPI=OFF -DGMX_DOUBLE=ON)
(mkdir -p build/mpich; cd build/mpich; CC=/usr/bin/mpicc.mpich2 cmake \
$(COMMON_CONFIG_PARAMS) $(MPICH_CONFIG_PARAMS) -DGMX_BINARY_SUFFIX="_mpi.mpich" -DGMX_LIBS_SUFFIX="_mpi.mpich")
(mkdir -p build/mpich-dp; cd build/mpich-dp; CC=/usr/bin/mpicc.mpich2 cmake \
$(COMMON_CONFIG_PARAMS) $(MPICH_CONFIG_PARAMS) -DGMX_DOUBLE=ON -DGMX_BINARY_SUFFIX="_mpi_d.mpich" -DGMX_LIBS_SUFFIX="_mpi_d.mpich")
ifneq (,$(findstring $(DEB_HOST_ARCH),$(OPENMPI_ARCH)))
(mkdir -p build/openmpi; cd build/openmpi; CC=/usr/bin/mpicc.openmpi cmake \
$(COMMON_CONFIG_PARAMS) $(OPENMPI_CONFIG_PARAMS) -DGMX_BINARY_SUFFIX="_mpi.openmpi" -DGMX_LIBS_SUFFIX="_mpi.openmpi")
(mkdir -p build/openmpi-dp; cd build/openmpi-dp; CC=/usr/bin/mpicc.openmpi cmake \
$(COMMON_CONFIG_PARAMS) $(OPENMPI_CONFIG_PARAMS) -DGMX_DOUBLE=ON -DGMX_BINARY_SUFFIX="_mpi_d.openmpi" -DGMX_LIBS_SUFFIX="_mpi_d.openmpi")
endif
touch $@
build: configure-stamp build-basic build-mpich build-openmpi
build-arch: build
build-indep: build
build-basic: configure-stamp
dh_testdir
$(MAKE) -C build/basic
$(MAKE) -C build/basic-dp
touch $@
build-mpich: configure-stamp
dh_testdir
$(MAKE) -C build/mpich mdrun
$(MAKE) -C build/mpich-dp mdrun
sed -e 's/#MPIABBR#/mpich/g' -e 's/#MPIPROG#/MPICH2/g' \
< debian/gromacs-parallel.README.Debian.in \
> debian/gromacs-mpich.README.Debian
touch $@
build-openmpi: configure-stamp
dh_testdir
ifneq (,$(findstring $(DEB_HOST_ARCH),$(OPENMPI_ARCH)))
$(MAKE) -C build/openmpi mdrun
$(MAKE) -C build/openmpi-dp mdrun
sed -e 's/#MPIABBR#/openmpi/g' -e 's/#MPIPROG#/OpenMPI/g' \
< debian/gromacs-parallel.README.Debian.in \
> debian/gromacs-openmpi.README.Debian
endif
touch $@
clean:
dh_testdir
dh_testroot
rm -rf build
dh_clean build-basic build-mpich build-openmpi configure-stamp \
debian/gromacs-mpich.README.Debian debian/gromacs-openmpi.README.Debian
install: build install-basic install-mpich install-openmpi
dh_testdir
dh_testroot
dh_prep -pgromacs-data -pgromacs-dev
# remove a duplicated file
rm -f $(CURDIR)/debian/gromacs/usr/share/gromacs/tutor/gmxdemo/demo_d
dh_installdirs -pgromacs-data
mv $(CURDIR)/debian/gromacs/usr/share/gromacs/top \
$(CURDIR)/debian/gromacs-data/usr/share/gromacs
mv $(CURDIR)/debian/gromacs/usr/share/gromacs/tutor \
$(CURDIR)/debian/gromacs-data/usr/share/gromacs
mv $(CURDIR)/debian/gromacs/usr/share/gromacs/html \
$(CURDIR)/debian/gromacs-data/usr/share/doc/gromacs
mv $(CURDIR)/debian/gromacs/usr/share/man \
$(CURDIR)/debian/gromacs-data/usr/share/man
# some of the default installation directories for documentation and
# example shell scripts are not FHS-friendly; move them appropriately
mv $(CURDIR)/debian/gromacs/usr/bin/GMXRC* \
$(CURDIR)/debian/gromacs/usr/bin/completion* \
$(CURDIR)/debian/gromacs-data/usr/share/gromacs/shell-specific
chmod 644 $(CURDIR)/debian/gromacs-data/usr/share/gromacs/shell-specific/*
dh_link -pgromacs-data usr/share/doc/gromacs/html usr/share/doc/gromacs-data/html
dh_link -pgromacs-data usr/share/doc/gromacs/html usr/share/doc/gromacs-dev/html
# one lintian warning is overridden:
# - script-not-executable: demo scripts outside of $PATH
dh_lintian -pgromacs-data
# rename a pair of Perl scripts to drop the .pl extension (Policy 10.4)
mv $(CURDIR)/debian/gromacs/usr/bin/demux.pl $(CURDIR)/debian/gromacs/usr/bin/demux
mv $(CURDIR)/debian/gromacs/usr/bin/xplor2gmx.pl $(CURDIR)/debian/gromacs/usr/bin/xplor2gmx
dh_installdirs -pgromacs-dev
mv $(CURDIR)/debian/gromacs/usr/include $(CURDIR)/debian/gromacs-dev/usr/include
# catch normal libraries plus all applicable MPI variants
mv $(CURDIR)/debian/gromacs/usr/lib/*.so $(CURDIR)/debian/gromacs/usr/lib/pkgconfig $(CURDIR)/debian/gromacs-dev/usr/lib
mv $(CURDIR)/debian/gromacs-mpich/usr/lib/*.so $(CURDIR)/debian/gromacs-dev/usr/lib
ifneq (,$(findstring $(DEB_HOST_ARCH),$(OPENMPI_ARCH)))
mv $(CURDIR)/debian/gromacs-openmpi/usr/lib/*.so $(CURDIR)/debian/gromacs-dev/usr/lib
endif
mv $(CURDIR)/debian/gromacs/usr/share/gromacs/template $(CURDIR)/debian/gromacs-dev/usr/share/gromacs/template
-rmdir $(CURDIR)/debian/gromacs/usr/share/gromacs
install-basic: build
dh_testdir
dh_testroot
dh_prep -pgromacs
dh_installdirs -pgromacs
$(MAKE) -C build/basic install DESTDIR=$(CURDIR)/debian/gromacs
$(MAKE) -C build/basic-dp install DESTDIR=$(CURDIR)/debian/gromacs
rm -f $(CURDIR)/debian/gromacs/usr/share/man/man1/*_d.1
dh_installman -pgromacs debian/man/g_*.1
for manpage in $(CURDIR)/debian/gromacs/usr/share/man/man1/*.1; do \
dh_link -pgromacs usr/share/man/man1/`basename $${manpage}` usr/share/man/man1/`basename $${manpage} .1`_d.1 ; \
done
# man pages for a pair of Perl scripts are installed *after* the _d duplication,
# as they have no double-precision variants.
dh_installman -pgromacs debian/man/demux.1 debian/man/xplor2gmx.1
# this program is currently broken - keep it from shipping until fixed
rm $(CURDIR)/debian/gromacs/usr/bin/g_pme_error $(CURDIR)/debian/gromacs/usr/bin/g_pme_error_d
# two lintian warnings are overridden:
# - package-name-doesnt-match-sonames: the libraries are private to
# GROMACS, and it's unlikely that any new package will start using
# them; therefore, separate lib packages would just be bloat.
# This is also overridden for the -mpich and -openmpi packages.
# - shlib-with-executable-stack: it's a side effect of the ASM inner
# loops (i386/amd64 only)
dh_lintian -pgromacs
install-mpich: build
dh_testdir
dh_testroot
dh_prep -pgromacs-mpich
dh_installdirs -pgromacs-mpich
$(MAKE) -C build/mpich install-mdrun DESTDIR=$(CURDIR)/debian/gromacs-mpich
$(MAKE) -C build/mpich-dp install-mdrun DESTDIR=$(CURDIR)/debian/gromacs-mpich
dh_installman -pgromacs-mpich debian/man/mdrun_mpi.mpich.1
dh_link -pgromacs-mpich usr/share/man/man1/mdrun_mpi.mpich.1.gz usr/share/man/man1/mdrun_mpi_d.mpich.1.gz
dh_lintian -pgromacs-mpich
install-openmpi: build
dh_testdir
dh_testroot
dh_prep -pgromacs-openmpi
ifneq (,$(findstring $(DEB_HOST_ARCH),$(OPENMPI_ARCH)))
dh_installdirs -pgromacs-openmpi
$(MAKE) -C build/openmpi install-mdrun DESTDIR=$(CURDIR)/debian/gromacs-openmpi
$(MAKE) -C build/openmpi-dp install-mdrun DESTDIR=$(CURDIR)/debian/gromacs-openmpi
dh_installman -pgromacs-openmpi debian/man/mdrun_mpi.openmpi.1
dh_link -pgromacs-openmpi usr/share/man/man1/mdrun_mpi.openmpi.1.gz usr/share/man/man1/mdrun_mpi_d.openmpi.1.gz
dh_lintian -pgromacs-openmpi
endif
binary-indep: build install
dh_testdir
dh_testroot
dh_installchangelogs -i
dh_installdocs -pgromacs-data
dh_compress -i
dh_fixperms -i
dh_installdeb -i
dh_gencontrol -i
dh_md5sums -i
dh_builddeb -i
binary-arch: build install
dh_testdir -s
dh_testroot -s
dh_installchangelogs -s
dh_installdocs -s
dh_strip -A
dh_link -s
dh_compress -s
dh_fixperms -s
dh_makeshlibs -s
dh_shlibdeps -pgromacs -L gromacs -l debian/gromacs/usr/lib
dh_shlibdeps -pgromacs-mpich -L gromacs-mpich -l debian/gromacs-mpich/usr/lib
ifneq (,$(findstring $(DEB_HOST_ARCH),$(OPENMPI_ARCH)))
dh_shlibdeps -pgromacs-openmpi -L gromacs-openmpi -l debian/gromacs-openmpi/usr/lib
endif
dh_gencontrol -s
dh_installdeb -s
dh_md5sums -s
dh_builddeb -s
binary: binary-indep binary-arch
.PHONY: binary binary-arch binary-indep build clean install install-basic install-mpich install-openmpi
# Because multiple versions of the same programs are created using the same source tree,
# the various build-* targets can't be compiled simultaneously.
# Passing down -j# to child make processes remains unaffected.
.NOTPARALLEL:
|
