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|
#!/usr/bin/make -f
# -*- makefile -*-
#export DH_VERBOSE=1
DEB_HOST_ARCH_BITS := $(shell dpkg-architecture -qDEB_HOST_ARCH_BITS)
DEB_HOST_ARCH := $(shell dpkg-architecture -qDEB_HOST_ARCH)
DEB_HOST_MULTIARCH := $(shell dpkg-architecture -qDEB_HOST_MULTIARCH)
ifneq (,$(filter checkall,$(DEB_BUILD_OPTIONS)))
export RUN_ALL_TESTS ="yes"
endif
include /usr/share/mpi-default-dev/debian_defaults
ifeq ($(DEB_HOST_ARCH_BITS),64)
export NWCHEM_TARGET=LINUX64
export USE_64TO32="yes"
else
export NWCHEM_TARGET=LINUX
endif
export BLAS_SIZE=4
export BLAS_LIB="-lblas"
export LAPACK_LIB="-llapack"
export USE_SCALAPACK="yes"
export SCALAPACK_SIZE=4
export SCALAPACK=-lscalapack-$(ARCH_DEFAULT_MPI_IMPL)
ifeq ($(DEB_HOST_ARCH),armhf)
export GCC49_ARM_BROKEN="yes"
endif
export NWCHEM_TOP=${CURDIR}
export NWCHEM_MODULES="pnnl"
export NWCHEM_LONG_PATHS="y"
export EXTERNAL_GA_PATH=/usr
export PYTHONVERSION=$(shell pyversions -dv)
export PYTHONHOME=$(shell python-config --prefix)
export LIBDIR=${NWCHEM_TOP}/lib/${NWCHEM_TARGET}
export LARGE_FILES=TRUE
export FC=gfortran
export USE_MPI="y"
export USE_MPIF="y"
export USE_MPIF4="y"
ifeq ($(ARCH_DEFAULT_MPI_IMPL),mpich)
export LIBMPI=-lmpi -lmpif77
else
export LIBMPI=$(shell pkg-config mpi-fort --libs)
endif
export MPI_LIB=/usr/lib
export MPI_INCLUDE=/usr/include/${DEB_HOST_MULTIARCH}/mpi
ifneq (,$(filter ccsdtq,$(DEB_BUILD_OPTIONS)))
export CCSDTQ="yes"
endif
ifneq (,$(filter ccsdtlr,$(DEB_BUILD_OPTIONS)))
export CCSDTLR="yes"
endif
export MRCC_METHODS=y
export IPCCSD=y
export EACCSD=y
export HAS_BLAS="yes"
export BLASOPT=-lblas -llapack
export BLACS=$(SCALAPACK)
export ARMCI_NETWORK=SOCKETS
export USE_ARUR="yes"
%:
dh $@ --with autotools_dev,python3 --parallel
override_dh_auto_build-arch:
mkdir -p $(CURDIR)/bin/${NWCHEM_TARGET}
(cd $(CURDIR)/src && NWCHEM_TOP=$(CURDIR) make nwchem_config)
ifeq ($(DEB_HOST_ARCH_BITS),64)
(cd $(CURDIR)/src && make 64_to_32)
find src -name include_stamp | xargs rm -f
find src -name dependencies | xargs rm -f
endif
(cd $(CURDIR)/src && make)
(cd $(CURDIR)/src/util && make)
(cd $(CURDIR)/src && make link)
ifeq ($(DEB_HOST_ARCH_BITS),64)
(cd $(CURDIR)/src && make 32_to_64)
endif
override_dh_auto_clean:
dh_testdir
-(cd $(CURDIR)/src && make realclean)
-(cd $(CURDIR)/doc && make realclean)
rm -rf $(CURDIR)/bin $(CURDIR)/lib $(CURDIR)/src/tools/lib
rm -rf $(CURDIR)/QA/scratchdir $(CURDIR)/QA/testoutputs
rm -f src/util/util_version.F src/stubs.F src/util/util_module_avail.F src/util/util_nwchem_version.F
find $(CURDIR) -name "*.stamp" | xargs rm -f
dh_auto_clean
rm -f src/config/NWCHEM_CONFIG src/config/nwchem_config.h
export RUNTESTS=$(CURDIR)/QA/runtests.mpi.unix
export NWCHEM_EXECUTABLE=${NWCHEM_TOP}/bin/${NWCHEM_TARGET}/nwchem
export NWCHEM_BASIS_LIBRARY=${NWCHEM_TOP}/src/basis/libraries/
export NWCHEM_NWPW_LIBRARY=${NWCHEM_TOP}/src/nwpw/libraryps/
override_dh_auto_test:
dh_testdir
-(cd $(CURDIR)/QA && if [ "$(RUN_ALL_TESTS)" = "yes" ]; then \
../debian/testsuite all; else ../debian/testsuite; fi)
|
