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#!/usr/bin/make -f
# -*- makefile -*-
-include /usr/share/mpi-default-dev/debian_defaults
include /usr/share/dpkg/architecture.mk
ifeq ($(DEB_BUILD_ARCH), i386)
export FFTW3_ALIGN=-D__FFTW3_UNALIGNED
else
export FFTW3_ALIGN=
endif
export LIB_SCALAPACK=-lscalapack-$(ARCH_DEFAULT_MPI_IMPL)
export LIB_BLACS=$(LIB_SCALAPACK)
export LIB_MPI=$(shell pkg-config mpi-fort --libs)
export LIB_ELPA=-lelpa
export INC_ELPA=-I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/
export DEF_ELPA=-D__ELPA=202111
export OMPI_MCA_orte_rsh_agent=/bin/false
export CP2K_DATA_DIR=$(CURDIR)/data
# Upstream makefile contains lots of @ which make it impossible to debug
export MAKEFLAGS += --trace
ifneq (,$(filter parallel=%,$(DEB_BUILD_OPTIONS)))
NUMJOBS = $(patsubst parallel=%,%,$(filter parallel=%,$(DEB_BUILD_OPTIONS)))
export MAKEFLAGS += -j$(NUMJOBS)
endif
# As the cross-referencing takes a lot time and memory, only include that on
# amd64. Drop -W from $SPHINXOPTS elsewhere to surpress missing reference
# warnings.
ifeq ($(DEB_BUILD_ARCH), amd64)
SPHINX_BUILD = ./generate_input_reference.py ./cp2k_input.xml && make html SPHINXOPTS="-W -n --keep-going --jobs $(NUMJOBS)"
else
SPHINX_BUILD = make html SPHINXOPTS="-n --keep-going --jobs $(NUMJOBS)"
endif
PLATFORM=Linux
ARCH=`uname -m`
FORT_C_NAME=gfortran
VERSION=psmp
PYTHON=python3
#cmake -DCP2K_ENABLE_REGTESTS=YES -DCP2K_USE_LIBINT2=YES -DCP2K_USE_LIBXC=YES -DCP2K_USE_SPGLIB=YES -DCP2K_USE_ELPA=YES -DCP2K_ENABLE_ELPA_OPENMP_SUPPORT=NO -DCP2K_ELPA_LINK_LIBRARIES=-lelpa -DCP2K_ELPA_INCLUDE_DIRS=/usr/include/elpa -DCP2K_SCALAPACK_LINK_LIBRARIES=-lscalapack-openmpi ..
%:
dh $@
override_dh_auto_clean:
cd arch && ln -fs $(PLATFORM)-generic-$(FORT_C_NAME).$(VERSION) \
$(PLATFORM)-$(ARCH)-$(FORT_C_NAME).$(VERSION)
+$(MAKE) ARCH=$(PLATFORM)-$(ARCH)-$(FORT_C_NAME) \
VERSION=$(VERSION) distclean
cd docs && rm -rf CP2K_INPUT _build && rm -f cp2k_input.xml CP2K_INPUT.md
rm -f arch/$(PLATFORM)-$(ARCH)-$(FORT_C_NAME).*
rm -rf LAST* TEST*
dh_auto_clean
override_dh_auto_build:
cd arch && ln -fs $(PLATFORM)-generic-$(FORT_C_NAME).$(VERSION) \
$(PLATFORM)-$(ARCH)-$(FORT_C_NAME).$(VERSION)
+$(MAKE) ARCH=$(PLATFORM)-$(ARCH)-$(FORT_C_NAME) \
VERSION=$(VERSION) PYTHON=$(PYTHON) all
# The doc build needs the built executable for the input reference, so
# cannot be done in a build-indep section
cd docs && \
$(CURDIR)/exe/*/cp2k.$(VERSION) --xml && \
$(SPHINX_BUILD)
ifeq (,$(filter nocheck,$(DEB_BUILD_OPTIONS)))
override_dh_auto_test:
./tests/do_regtest.py --maxtasks $(NUMJOBS) --mpiranks 1 --workbasedir . \
--restrictdir ATOM/regtest-2 \
--restrictdir DFTB/regtest-nonscc \
--restrictdir FARMING/regtest-1 \
--restrictdir FE/regtest-2 \
--restrictdir Fist/regtest-11 \
--restrictdir LIBTEST \
--restrictdir MC/regtest \
--restrictdir NEB/regtest-1 \
--restrictdir optimize_input/regtest-1 \
--restrictdir QMMM/QS/regtest-2-erf \
--restrictdir QMMM/QS/regtest-4 \
--restrictdir QMMM/QS/regtest-gapw \
--restrictdir QMMM/QS/regtest-lrigpw \
--restrictdir QMMM/SE/regtest_2 \
--restrictdir QMMM/DFTB/regtest \
--restrictdir QS/regtest-all-electron \
--restrictdir QS/regtest-almo-eda \
--restrictdir QS/regtest-cdft-3-1 \
--restrictdir QS/regtest-dm-ls-scf-4 \
--restrictdir QS/regtest-double-hybrid-2 \
--restrictdir QS/regtest-elpa \
--restrictdir QS/regtest-fftw \
--restrictdir QS/regtest-gapw-2 \
--restrictdir QS/regtest-gpw-2-1 \
--restrictdir QS/regtest-hfx-periodic \
--restrictdir QS/regtest-hfx-stress \
--restrictdir QS/regtest-hirshfeld \
--restrictdir QS/regtest-hybrid-1 \
--restrictdir QS/regtest-libxc \
--restrictdir QS/regtest-linearscaling \
--restrictdir QS/regtest-lvlshift \
--restrictdir QS/regtest-md-lgvregion \
--restrictdir QS/regtest-mp2-1 \
--restrictdir QS/regtest-mp2-grad \
--restrictdir QS/regtest-optbas \
--restrictdir QS/regtest-ot-refine-3 \
--restrictdir QS/regtest-pao-3 \
--restrictdir QS/regtest-polar \
--restrictdir QS/regtest-properties/resp \
--restrictdir QS/regtest-ps-implicit-2-3 \
--restrictdir QS/regtest-ri-mp2 \
--restrictdir QS/regtest-ri-rpa \
--restrictdir QS/regtest-sccs-2 \
--restrictdir QS/regtest-tddfpt \
--restrictdir QS/regtest-tddfpt-force-2 \
--restrictdir QS/regtest-tddfpt-lri \
--restrictdir SCPTB/regtest-1 \
--restrictdir SE/regtest-3-1 \
--restrictdir SWARM/regtest-glbopt-1 \
exe/$(PLATFORM)-$(ARCH)-$(FORT_C_NAME) $(VERSION)
endif
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