#!/usr/bin/make -f
#
# build script for GROMACS

PACKAGE := gromacs

DEB_HOST_ARCH      ?= $(shell dpkg-architecture -qDEB_HOST_ARCH)
DEB_HOST_ARCH_CPU  ?= $(shell dpkg-architecture -qDEB_HOST_ARCH_CPU)
DEB_HOST_ARCH_OS   ?= $(shell dpkg-architecture -qDEB_HOST_ARCH_OS)
DEB_HOST_MULTIARCH ?= $(shell dpkg-architecture -qDEB_HOST_MULTIARCH)

DEB_DISTRO  ?= $(shell lsb_release -si)
DEB_VERSION ?= $(shell dpkg-parsechangelog -S version)

# add hardening flags, using dpkg-buildflags
export DEB_BUILD_MAINT_OPTIONS = hardening=+all
DPKG_EXPORT_BUILDFLAGS = 1
include /usr/share/dpkg/buildflags.mk
#653916 and http://www.cmake.org/Bug/view.php?id=12928
CFLAGS   += $(CPPFLAGS)
CXXFLAGS += $(CPPFLAGS)

ifneq (,$(findstring debug,$(DEB_BUILD_OPTIONS)))
	CFLAGS += -g -Wall
endif
ifneq (,$(findstring noopt,$(DEB_BUILD_OPTIONS)))
	CFLAGS += -O0
endif

COMMON_CONFIG_PARAMS = \
	$(CURDIR) \
	-DCMAKE_VERBOSE_MAKEFILE=ON \
	-DCMAKE_RULE_MESSAGES=OFF \
	-DCMAKE_INSTALL_PREFIX="/usr" \
	-DCMAKE_EXE_LINKER_FLAGS="$(LDFLAGS)" \
	-DCMAKE_SKIP_RPATH=ON \
	-DGMX_EXTERNAL_ZLIB=ON \
	-DGMX_VERSION_STRING_OF_FORK="$(DEB_DISTRO)-$(DEB_VERSION)" \
	-DGMX_GIT_VERSION_INFO=OFF

# For compatibility reasons, disable SIMD CPU optimizations EXCEPT
# for SSE2 on x86, SSE4.1 on amd64/x32, and NEON on armhf/arm64.
# For local compilations, set DEB_BUILD_OPTIONS=cpuopt for automatic
# detection of the best available option.
# See http://www.gromacs.org/Documentation/Acceleration_and_parallelization#Acceleration
# and http://manual.gromacs.org/documentation/2016.3/install-guide/index.html#simd-support
ifeq (,$(findstring cpuopt,$(DEB_BUILD_OPTIONS)))
ifeq ($(DEB_HOST_ARCH_CPU), i386)
	COMMON_CONFIG_PARAMS += -DGMX_SIMD=SSE2
else ifeq ($(DEB_HOST_ARCH_CPU), amd64)
	COMMON_CONFIG_PARAMS += -DGMX_SIMD=SSE4.1
else ifeq ($(DEB_HOST_ARCH_CPU), x32)
	COMMON_CONFIG_PARAMS += -DGMX_SIMD=SSE4.1
else ifeq ($(DEB_HOST_ARCH_CPU), armhf)
	COMMON_CONFIG_PARAMS += -DGMX_SIMD=ARM_NEON
else ifeq ($(DEB_HOST_ARCH_CPU), arm64)
	COMMON_CONFIG_PARAMS += -DGMX_SIMD=ARM_NEON_ASIMD
else
	COMMON_CONFIG_PARAMS += -DGMX_SIMD=None
endif
endif

# Include "gpu" in DEB_BUILD_OPTIONS to build GPU-accelerated binaries as well.
# This build option is not always well tested, please send comments.
# You must have the pacakges "nvidia-cuda-toolkit" and "nvidia-cuda-dev"
# installed. Those are not official build dependencies to keep the package in
# Debian main!
#
# If you use this option, it is strongly recommended that you also set
# DEB_BUILD_OPTIONS=cpuopt, assuming you are compiling and running on the same
# machine.
#
# Further details at http://www.gromacs.org/GPU_acceleration
GPU_CONFIG_PARAMS =
ifneq (,$(findstring gpu,$(DEB_BUILD_OPTIONS)))
	GPU_CONFIG_PARAMS += -DGMX_GPU=ON
endif

MPICH_CONFIG_PARAMS = \
	-DGMX_MPI=ON \
	-DGMX_X11=OFF \
	-DGMX_DEFAULT_SUFFIX=OFF \
	-DMPIEXEC="/usr/bin/mpiexec.mpich" \
	-DGMX_BUILD_MDRUN_ONLY=ON

OPENMPI_CONFIG_PARAMS = \
	-DGMX_MPI=ON \
	-DGMX_X11=OFF \
	-DGMX_DEFAULT_SUFFIX=OFF \
	-DCMAKE_EXE_LINKER_FLAGS="-L/usr/lib/openmpi/lib $(LDFLAGS)" \
	-DMPIEXEC="/usr/bin/mpiexec.openmpi" \
	-DGMX_BUILD_MDRUN_ONLY=ON

# optional parallel build
ifneq (,$(filter parallel=%,$(DEB_BUILD_OPTIONS)))
	NUMJOBS = $(patsubst parallel=%,%,$(filter parallel=%,$(DEB_BUILD_OPTIONS)))
	MAKE += -j$(NUMJOBS)
endif

export GTEST_COLOR=no
export CTEST_OUTPUT_ON_FAILURE=1

configure: configure-stamp
configure-stamp:
	dh_testdir
	(mkdir -p build/basic; cd build/basic; cmake $(COMMON_CONFIG_PARAMS) $(GPU_CONFIG_PARAMS) -DGMX_MPI=OFF -DGMX_X11=ON -DBUILD_SHARED_LIBS=ON -DGMX_INSTALL_LEGACY_API=ON)
	(mkdir -p build/basic-dp; cd build/basic-dp; cmake $(COMMON_CONFIG_PARAMS) -DGMX_MPI=OFF -DGMX_X11=ON -DBUILD_SHARED_LIBS=ON -DGMX_DOUBLE=ON)
	(mkdir -p build/mpich; cd build/mpich; CC=/usr/bin/mpicc.mpich CXX=/usr/bin/mpicxx.mpich cmake \
	$(COMMON_CONFIG_PARAMS) $(MPICH_CONFIG_PARAMS) $(GPU_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.mpich CXX=/usr/bin/mpicxx.mpich cmake \
	$(COMMON_CONFIG_PARAMS) $(MPICH_CONFIG_PARAMS) -DGMX_DOUBLE=ON -DGMX_BINARY_SUFFIX="_mpi_d.mpich" -DGMX_LIBS_SUFFIX="_mpi_d.mpich")
	(mkdir -p build/openmpi; cd build/openmpi; CC=/usr/bin/mpicc.openmpi CXX=/usr/bin/mpicxx.openmpi cmake \
	$(COMMON_CONFIG_PARAMS) $(OPENMPI_CONFIG_PARAMS) $(GPU_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 CXX=/usr/bin/mpicxx.openmpi cmake \
	$(COMMON_CONFIG_PARAMS) $(OPENMPI_CONFIG_PARAMS) -DGMX_DOUBLE=ON -DGMX_BINARY_SUFFIX="_mpi_d.openmpi" -DGMX_LIBS_SUFFIX="_mpi_d.openmpi")
	touch $@


build: build-arch build-indep

build-arch: configure-stamp build-basic build-mpich build-openmpi
build-indep: build-manual

build-basic: configure-stamp
	dh_testdir
	$(MAKE) -C build/basic
	$(MAKE) -C build/basic-dp
ifeq (,$(filter nocheck,$(DEB_BUILD_OPTIONS)))
	$(MAKE) -C build/basic tests
	(cd build/basic;    LD_LIBRARY_PATH=$(CURDIR)/build/basic/lib    ctest -V || dpkg-architecture -i hurd-i386 )
	$(MAKE) -C build/basic-dp tests
	(cd build/basic-dp; LD_LIBRARY_PATH=$(CURDIR)/build/basic-dp/lib ctest -V || dpkg-architecture -i hurd-i386 || dpkg-architecture -i i386 )
endif
	touch $@

build-manual:
	dh_testdir
	# Build speedy, stripped-down version just for documentation generation.
	# Derived from admin/build-docs.sh
	(mkdir -p build/documentation ; cd build/documentation; LD_LIBRARY_PATH=$(CURDIR)/build/documentation/lib \
	cmake $(CURDIR) -DCMAKE_BUILD_TYPE=Debug -DGMX_OPENMP=OFF -DGMX_SIMD=None \
	-DGMX_GPU=OFF -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_RULE_MESSAGES=OFF -DGMX_BUILD_MANUAL=ON \
	-DGMX_BUILD_HELP=ON -DGMX_VERSION_STRING_OF_FORK="$(DEB_DISTRO)-$(DEB_VERSION)")
	$(MAKE) gmx -C build/documentation
	# Generate PDF
	$(MAKE) manual -C build/documentation
	# Generate man pages
	$(MAKE) man -C build/documentation
	# Generate HTML
	$(MAKE) webpage -C build/documentation

build-mpich: configure-stamp
	dh_testdir
	$(MAKE) -C build/mpich
	$(MAKE) -C build/mpich-dp
	sed -e 's/#MPIABBR#/mpich/g' -e 's/#MPIPROG#/MPICH/g' \
	    < debian/gromacs-parallel.README.Debian.in \
	    > debian/gromacs-mpich.README.Debian
ifeq (,$(filter nocheck,$(DEB_BUILD_OPTIONS)))
	$(MAKE) -C build/mpich tests
	(cd build/mpich;     LD_LIBRARY_PATH=$(CURDIR)/build/mpich/lib \
	                     ctest -V || dpkg-architecture -i hurd-i386 || dpkg-architecture -i s390x )
endif
	touch $@

build-openmpi: configure-stamp
	dh_testdir
	$(MAKE) -C build/openmpi
	$(MAKE) -C build/openmpi-dp
	sed -e 's/#MPIABBR#/openmpi/g' -e 's/#MPIPROG#/OpenMPI/g' \
	    < debian/gromacs-parallel.README.Debian.in \
	    > debian/gromacs-openmpi.README.Debian
ifeq (,$(filter nocheck,$(DEB_BUILD_OPTIONS)))
	# rsh_agent: https://bugs.debian.org/494046
	# oversubscribe: https://bugs.debian.org/850229#51
	$(MAKE) -C build/openmpi tests
	(cd build/openmpi    ; LD_LIBRARY_PATH=$(CURDIR)/build/openmpi/lib \
                               OMPI_MCA_plm_rsh_agent=/bin/false \
                               OMPI_MCA_rmaps_base_oversubscribe=1 \
                               ctest -V || dpkg-architecture -i hurd-i386 || dpkg-architecture -i x32 )
endif
	touch $@


clean:
	dh_testdir
	dh_testroot
	rm -rf build docs/doxygen/*.pyc
	dh_clean build-basic build-mpich build-openmpi build-manual configure-stamp \
	         debian/gromacs-mpich.README.Debian debian/gromacs-openmpi.README.Debian


install: build-arch install-basic install-mpich install-openmpi
	dh_testdir
	dh_testroot
	dh_prep -pgromacs-data -plibgromacs-dev

	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/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
	perl -lne 'print' $(CURDIR)/debian/gromacs/usr/bin/gmx*.bash > \
	                  $(CURDIR)/debian/gromacs-data/usr/share/bash-completion/completions/gmx
	rm -f $(CURDIR)/debian/gromacs/usr/bin/GMXRC* $(CURDIR)/debian/gromacs/usr/bin/gmx*.bash
	# symlinks, primarily for /usr/share/doc/{gromacs,libgromacs*} -> gromacs-data
	dh_link -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

	mkdir -p $(CURDIR)/debian/libgromacs5/usr/lib/$(DEB_HOST_MULTIARCH)
	mv $(CURDIR)/debian/gromacs/usr/lib/*/*.so.* $(CURDIR)/debian/libgromacs5/usr/lib/$(DEB_HOST_MULTIARCH)/

	dh_installdirs -plibgromacs-dev
	mv $(CURDIR)/debian/gromacs/usr/include $(CURDIR)/debian/libgromacs-dev/usr/include
	# catch normal libraries plus all applicable MPI variants
	mkdir -p $(CURDIR)/debian/libgromacs-dev/usr/lib/$(DEB_HOST_MULTIARCH)
	mv $(CURDIR)/debian/gromacs/usr/lib/$(DEB_HOST_MULTIARCH)/*.so \
	   $(CURDIR)/debian/gromacs/usr/lib/$(DEB_HOST_MULTIARCH)/pkgconfig \
	   $(CURDIR)/debian/libgromacs-dev/usr/lib/$(DEB_HOST_MULTIARCH)/
	rmdir $(CURDIR)/debian/gromacs/usr/lib/$(DEB_HOST_MULTIARCH) $(CURDIR)/debian/gromacs/usr/lib
	mv $(CURDIR)/debian/gromacs/usr/share/gromacs/template $(CURDIR)/debian/libgromacs-dev/usr/share/gromacs/template
	# remaining documentation catch-all
	mv $(CURDIR)/debian/gromacs/usr/share/gromacs/* $(CURDIR)/debian/gromacs-data/usr/share/doc/gromacs
	-rmdir $(CURDIR)/debian/gromacs/usr/share/gromacs
	# what are you doing here?
	mv $(CURDIR)/debian/gromacs/usr/share/cmake $(CURDIR)/debian/libgromacs-dev/usr/share/gromacs/
	dh_lintian -pgromacs -pgromacs-data -plibgromacs5

install-manual: build-manual install
	dh_testdir
	dh_testroot
	dh_install -pgromacs-data
	dh_installman -pgromacs-data $(CURDIR)/build/documentation/docs/man/*.[1-9]
	# dh_doxygen expects a different location of index.html, so do its cleanup manually.
	-find $(CURDIR)/debian/gromacs-data/usr/share/doc/gromacs/html/doxygen/ -type f -a \( -name '*.md5' -o -name '*.map' \) -delete
	rdfind -outputname /dev/null -makesymlinks true $(CURDIR)/debian/gromacs-data/usr/share/doc/
	symlinks -r -s -c $(CURDIR)/debian/gromacs-data/usr/share/doc/

install-basic: build-arch
	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
	dh_installman -pgromacs debian/man/demux.1 debian/man/xplor2gmx.1
	# gmx(1) -> gmx_d(1)
	dh_link -pgromacs -pgromacs-data

install-mpich: build-mpich
	dh_testdir
	dh_testroot
	dh_prep -pgromacs-mpich
	dh_installdirs -pgromacs-mpich
	$(MAKE) -C build/mpich install DESTDIR=$(CURDIR)/debian/gromacs-mpich
	$(MAKE) -C build/mpich-dp install DESTDIR=$(CURDIR)/debian/gromacs-mpich
	# overlapping include files with libgromacs-dev: temporary fix as of 2020-beta1
	rm -rf $(CURDIR)/debian/gromacs-mpich/usr/include
	chmod 644 $(CURDIR)/debian/gromacs-mpich/usr/bin/gmx-completion*
	mv $(CURDIR)/debian/gromacs-mpich/usr/bin/gmx-completion-mdrun_mpi.mpich.bash $(CURDIR)/debian/gromacs-mpich/usr/share/bash-completion/completions/mdrun_mpi.mpich
	mv $(CURDIR)/debian/gromacs-mpich/usr/bin/gmx-completion-mdrun_mpi_d.mpich.bash $(CURDIR)/debian/gromacs-mpich/usr/share/bash-completion/completions/mdrun_mpi_d.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-openmpi
	dh_testdir
	dh_testroot
	dh_prep -pgromacs-openmpi
	dh_installdirs -pgromacs-openmpi
	$(MAKE) -C build/openmpi install DESTDIR=$(CURDIR)/debian/gromacs-openmpi
	$(MAKE) -C build/openmpi-dp install DESTDIR=$(CURDIR)/debian/gromacs-openmpi
	# overlapping include files with libgromacs-dev: temporary fix as of 2020-beta1
	rm -rf $(CURDIR)/debian/gromacs-openmpi/usr/include
	chmod 644 $(CURDIR)/debian/gromacs-openmpi/usr/bin/gmx-completion*
	mv $(CURDIR)/debian/gromacs-openmpi/usr/bin/gmx-completion-mdrun_mpi.openmpi.bash $(CURDIR)/debian/gromacs-openmpi/usr/share/bash-completion/completions/mdrun_mpi.openmpi
	mv $(CURDIR)/debian/gromacs-openmpi/usr/bin/gmx-completion-mdrun_mpi_d.openmpi.bash $(CURDIR)/debian/gromacs-openmpi/usr/share/bash-completion/completions/mdrun_mpi_d.openmpi
	# Force-disable RUNPATH - see <https://github.com/open-mpi/ompi/issues/521>
	# and lintian tag binary-or-shlib-defines-rpath in versions >= 2.5.50
	chrpath -d $(CURDIR)/debian/gromacs-openmpi/usr/bin/mdrun_mpi*
	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

binary-indep: build-arch build-indep install install-manual
	dh_testdir
	dh_testroot
	dh_installchangelogs -i
	dh_installdocs -pgromacs-data
	dh_strip_nondeterminism -i
	dh_compress -i -X.pdf
	dh_fixperms -i
	dh_installdeb -i
	dh_gencontrol -i
	dh_md5sums -i
	dh_builddeb -i

binary-arch: build-arch install
	dh_testdir -a
	dh_testroot -a
	dh_installchangelogs -a
	dh_installdocs -a
	dh_strip_nondeterminism -a
	dh_compress -a
	dh_fixperms -a
	dh_dwz -a
	dh_strip -A
	dh_makeshlibs -a
	dh_shlibdeps -plibgromacs5 -L libgromacs5 -l debian/libgromacs5/usr/lib
	dh_shlibdeps -pgromacs -L libgromacs5 -l debian/libgromacs5/usr/lib:debian/gromacs/usr/lib
	dh_shlibdeps -pgromacs-mpich -L gromacs-mpich -l debian/gromacs-mpich/usr/lib
	dh_shlibdeps -pgromacs-openmpi -L gromacs-openmpi -l debian/gromacs-openmpi/usr/lib
	dh_gencontrol -a
	dh_installdeb -a
	dh_md5sums -a
	dh_builddeb -a

binary: binary-indep binary-arch

.PHONY: binary binary-arch binary-indep build clean install install-basic install-mpich install-openmpi install-manual