#!/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=-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,python2 --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)