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cp2k 4.1-1
  • links: PTS, VCS
  • area: main
  • in suites: stretch
  • size: 201,820 kB
  • sloc: fortran: 794,828; f90: 91,456; sh: 7,466; python: 7,298; cpp: 4,868; ansic: 2,937; xml: 2,185; lisp: 733; perl: 529; makefile: 485; pascal: 199; csh: 16
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#!/usr/bin/make -f
# -*- makefile -*-

include /usr/share/mpi-default-dev/debian_defaults

DEB_BUILD_ARCH=$(shell dpkg-architecture -qDEB_BUILD_ARCH)

ifeq ($(DEB_BUILD_ARCH), i386)
    export FFTW3_ALIGN=-D__FFTW3_UNALIGNED
else
    export FFTW3_ALIGN=
endif

export LIB_SCALAPACK=-lscalapack-$(ARCH_DEFAULT_MPI_IMPL)
export LIB_BLACS=-lblacsCinit-$(ARCH_DEFAULT_MPI_IMPL) -lblacs-$(ARCH_DEFAULT_MPI_IMPL)
export OMPI_MCA_orte_rsh_agent=/bin/false
export CP2K_DATA_DIR=$(CURDIR)/data

PLATFORM=Linux
ARCH=`uname -m`
FORT_C_NAME=gfortran
VERSION=popt

%:
	dh $@ 

override_dh_auto_clean:
	(cd arch; ln -fs $(PLATFORM)-generic-$(FORT_C_NAME).$(VERSION)		   \
		$(PLATFORM)-$(ARCH)-$(FORT_C_NAME).$(VERSION))
	(cd makefiles; $(MAKE) ARCH=$(PLATFORM)-$(ARCH)-$(FORT_C_NAME)		   \
		VERSION=$(VERSION) distclean)
	(cd tools/manual; rm -rf CP2K_INPUT; rm -f *.html *.xml)
	rm -f arch/$(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))
	(cd makefiles; $(MAKE) ARCH=$(PLATFORM)-$(ARCH)-$(FORT_C_NAME) 		    \
		VERSION=$(VERSION) all)
	(cd tools/manual; $(CURDIR)/exe/*/cp2k.$(VERSION) --xml)
	(cd tools/manual; saxonb-xslt -o index.html -ext:on cp2k_input.xml cp2k_input.xsl)

ifeq (,$(filter nocheck,$(DEB_BUILD_OPTIONS)))
override_dh_auto_test:
	-(cd tools/regtesting; ARCH=$(PLATFORM)-$(ARCH)-$(FORT_C_NAME) ./do_regtest \
		-config ../../debian/regtest.config                                 \
		-restrictdir ATOM/regtest-2                                         \
		-restrictdir DFTB/regtest-nonscc                                    \
		-restrictdir FARMING/regtest-1                                      \
		-restrictdir FE/regtest-2                                           \
		-restrictdir FE/regtest-3                                           \
		-restrictdir Fist/regtest-11                                        \
		-restrictdir LIBTEST                                                \
		-restrictdir MC/regtest                                             \
		-restrictdir NEB/regtest-1                                          \
		-restrictdir NEB/regtest-3                                          \
		-restrictdir optimize_input/regtest-1                               \
		-restrictdir Pimd                                                   \
		-restrictdir QMMM/QS/regtest-2-erf                                  \
		-restrictdir QMMM/QS/regtest-gapw                                   \
		-restrictdir QMMM/SE/regtest_2                                      \
		-restrictdir QMMM/DFTB/regtest                                      \
		-restrictdir QS/regtest-almo-1                                      \
		-restrictdir QS/regtest-epr-2                                       \
		-restrictdir QS/regtest-gapw-2                                      \
		-restrictdir QS/regtest-gpw-2-1                                     \
		-restrictdir QS/regtest-gpw-6-4                                     \
		-restrictdir QS/regtest-hirshfeld                                   \
		-restrictdir QS/regtest-hfx-periodic                                \
		-restrictdir QS/regtest-hfx-stress                                  \
		-restrictdir QS/regtest-hybrid-1                                    \
		-restrictdir QS/regtest-ps-implicit-2-1                             \
		-restrictdir QS/regtest-linearscaling                               \
		-restrictdir QS/regtest-libxc                                       \
		-restrictdir QS/regtest-lsroks                                      \
		-restrictdir QS/regtest-md-lgvregion                                \
		-restrictdir QS/regtest-mp2-1                                       \
		-restrictdir QS/regtest-mp2-grad                                    \
		-restrictdir QS/regtest-nmr-2                                       \
		-restrictdir QS/regtest-optbas                                      \
		-restrictdir QS/regtest-ot-refine-3                                 \
		-restrictdir QS/regtest-p-efield                                    \
		-restrictdir QS/regtest-polar                                       \
		-restrictdir QS/regtest-properties/resp                             \
		-restrictdir QS/regtest-ri-rpa                                      \
		-restrictdir QS/regtest-sccs-1                                      \
		-restrictdir QS/regtest-tddfpt                                      \
		-restrictdir SCPTB/regtest-1                                        \
		-restrictdir SE/regtest-3-1                                         \
		-restrictdir SWARM/regtest-glbopt-1                                 \
		-restrictdir TAMC/regtest )     
endif