science/cp2k: Update 7.1.0-20200518 -> 9.1.0

This commit is contained in:
Yuri Victorovich 2022-05-23 18:31:34 -07:00
parent d37139d26d
commit 2e76962a16
5 changed files with 137 additions and 84 deletions

View File

@ -1,57 +1,78 @@
PORTNAME= cp2k
DISTVERSIONPREFIX= v
DISTVERSION= 7.1.0-20200518
DISTVERSION= 9.1.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
COMMENT= Quantum chemistry and solid state physics software package
LICENSE= GPLv2+
LICENSE_FILE= ${WRKSRC}/LICENSE
BUILD_DEPENDS= fypp:devel/py-fypp@${PY_FLAVOR}
LIB_DEPENDS= libblas.so:math/blas \
libfftw3.so:math/fftw3 \
liblapack.so:math/lapack
RUN_DEPENDS= cp2k-data>0:science/cp2k-data
TEST_DEPENDS= bash:shells/bash
USES= fortran gmake localbase:ldflags python:build shebangfix tar:bz2
USES= fortran gmake localbase:ldflags python:build tar:bz2
USE_GITHUB= yes
GH_TAGNAME= 2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc
GH_TUPLE= cp2k:dbcsr:f385868eec7c89f40ac9d6d9783fc34a05d2f68e:cp2k_dbcsr/exts/dbcsr \
pseewald:fprettify:2b2801bf91dd651c417c232bb891d407bf81085c:pseewald_fprettify/tools/prettify/fprettify \
aradi:fypp:7895a7efb7d2f07dc284cece6cc9474297b8dc55:aradi_fypp/exts/dbcsr/tools/build_utils/fypp
GH_TUPLE= cp2k:dbcsr:f4df17b:cp2k_dbcsr/exts/dbcsr \
pseewald:fprettify:71781aa:pseewald_fprettify/tools/prettify/fprettify
MAKE_ARGS= XARCH=FreeBSD-gfortran VERSION=${VERSION} FC=gfortran${GCC_DEFAULT} CC=${CC} LD=gfortran${GCC_DEFAULT} \
SHEBANG_FILES= tools/regtesting/do_regtest
GCC_VERSION= ${GCC_DEFAULT} # ${_USE_GCC}
MAKE_ARGS= XARCH=FreeBSD-gfortran VERSION=${VERSION} FC=gfortran${GCC_VERSION} CC=${CC} LD=gfortran${GCC_VERSION} \
DATA_DIR=${DATADIR}
BINARY_ALIAS= python=${PYTHON_CMD}
BINARY_ALIAS= python=${PYTHON_CMD} python3=${PYTHON_CMD} make=${GMAKE} # make - only for tests
OPTIONS_DEFINE= LIBINT
OPTIONS_SINGLE= MULTIPROCESSING
OPTIONS_SINGLE_MULTIPROCESSING= SERIAL OPENMP MPI OPENMP_MPI # for the complete list see "3a. ARCH files" in https://www.cp2k.org/howto:compile
OPTIONS_DEFAULT= LIBINT SERIAL
OPTIONS_SINGLE_MULTIPROCESSING= SERIAL OPENMP MPI OPENMP_MPI # for the complete list see https://github.com/cp2k/cp2k/blob/master/INSTALL.md
OPTIONS_DEFAULT= LIBINT OPENMP
MULTIPROCESSING_DESC= Multiprocessing
LIBINT_DESC= Use libint to evaluate integrals
LIBINT_LIB_DEPENDS= libint.so:science/libint
SERIAL_DESC= Single core (no multiprocessing)
SERIAL_VARS= VERSION=sopt
SERIAL_VARS= VERSION=sopt EFFECTIVE_VERSION=ssmp # now is a flavor of ssmp with NUM_THEADS=1
SERIAL_CFLAGS= ${OPENMP_CFLAGS}
SERIAL_CXXFLAGS= ${OPENMP_CXXFLAGS}
SERIAL_LDFLAGS= ${OPENMP_LDFLAGS}
SERIAL_PLIST_FILES= ${EXECUTABLES_CORE:C/(.*)/bin\/\1.${VERSION}/} # symlinks
OPENMP_VARS= VERSION=ssmp
OPENMP_VARS= VERSION=ssmp EFFECTIVE_VERSION=ssmp
OPENMP_CFLAGS= -fopenmp
OPENMP_CXXFLAGS= -fopenmp
OPENMP_LDFLAGS= /usr/lib/libgomp.so
MPI_VARS= VERSION=popt
MPI_VARS= VERSION=popt EFFECTIVE_VERSION=psmp # now is a flavor of psmp with NUM_THEADS=1
MPI_LIB_DEPENDS= libmpich.so:net/mpich \
libscalapack.so:math/scalapack
MPI_LDFLAGS= -lmpifort
MPI_PLIST_FILES= ${EXECUTABLES_CORE:C/(.*)/bin\/\1.${VERSION}/} # symlinks
MPI_BROKEN= https://github.com/cp2k/cp2k/issues/2128
OPENMP_MPI_DESC= Enable both OpenMP and MPI
OPENMP_MPI_VARS= VERSION=psmp
OPENMP_MPI_VARS= VERSION=psmp EFFECTIVE_VERSION=psmp
OPENMP_MPI_CFLAGS= ${OPENMP_CFLAGS}
OPENMP_MPI_CXXFLAGS= ${OPENMP_CXXFLAGS}
OPENMP_MPI_LDFLAGS= ${OPENMP_LDFLAGS}
OPENMP_MPI_LIB_DEPENDS= ${MPI_LIB_DEPENDS}
OPENMP_MPI_LDFLAGS= ${MPI_LDFLAGS}
OPENMP_MPI_BROKEN= https://github.com/cp2k/cp2k/issues/2128
EXECUTABLES= cp2k graph cp2k_shell
EXECUTABLES_CORE= cp2k cp2k_shell
EXECUTABLES_EXTRA= dumpdcd graph grid_miniapp xyz2dcd
EXECUTABLES= ${EXECUTABLES_CORE} ${EXECUTABLES_EXTRA}
PLIST_FILES= ${EXECUTABLES:C/(.*)/bin\/\1.${VERSION}/}
PLIST_FILES= ${EXECUTABLES:C/(.*)/bin\/\1.${EFFECTIVE_VERSION}/}
.include <bsd.port.options.mk>
@ -64,10 +85,6 @@ pre-configure:
fi
.endif
.if ${GCC_DEFAULT} >= 10
BROKEN= fails to build with GCC 10: Element of assumed-shape or pointer array as actual argument at (1) cannot correspond to actual argument at (2)
.endif
post-patch:
@${REINPLACE_CMD} -i '' 's|LIBS.*=.*|& ${LDFLAGS}|; s|^FCFLAGS.*=.*|& -I${LOCALBASE}/include|; s| -march=native||' ${WRKSRC}/arch/FreeBSD-*
@ -76,7 +93,22 @@ pre-build:
do-install:
.for e in ${EXECUTABLES}
${INSTALL_PROGRAM} ${WRKSRC}/exe/*/${e}.${VERSION} ${STAGEDIR}${PREFIX}/bin
${INSTALL_PROGRAM} ${WRKSRC}/exe/*/${e}.${EFFECTIVE_VERSION} ${STAGEDIR}${PREFIX}/bin
.endfor
.include <bsd.port.mk>
do-install-SERIAL-on:
.for e in ${EXECUTABLES_CORE}
cd ${STAGEDIR}${PREFIX}/bin && ${LN} -s ${e}.${EFFECTIVE_VERSION} ${e}.${VERSION}
.endfor
do-test: # fails to run: some Linux-only commands are present
@cd ${WRKSRC} && \
${SETENV} ${MAKE_ENV} ./tools/regtesting/do_regtest -maxtasks 8
.include <bsd.port.pre.mk>
. if ${GCC_DEFAULT} >= 10 # only needed when MPI is on, but flags aren't passed into DBCSR sub-project, see https://github.com/cp2k/cp2k/issues/2128
FCFLAGS+= -fallow-argument-mismatch
. endif
.include <bsd.port.post.mk>

View File

@ -1,9 +1,7 @@
TIMESTAMP = 1589936057
SHA256 (cp2k-cp2k-v7.1.0-20200518-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc_GH0.tar.gz) = ce00cbce951176c925b82ece1fb1a417fcc308a609eb4ca38f86b7a617dd148d
SIZE (cp2k-cp2k-v7.1.0-20200518-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc_GH0.tar.gz) = 79390777
SHA256 (cp2k-dbcsr-f385868eec7c89f40ac9d6d9783fc34a05d2f68e_GH0.tar.gz) = 0ac2ca5cf7269b218c77ce291cb7bd15f1c0e9ed4e0301b9036897251e20d9d5
SIZE (cp2k-dbcsr-f385868eec7c89f40ac9d6d9783fc34a05d2f68e_GH0.tar.gz) = 2555185
SHA256 (pseewald-fprettify-2b2801bf91dd651c417c232bb891d407bf81085c_GH0.tar.gz) = e20c0645150f990cd9ef381f5cbbd6825cc7eb0433cfb625b997e02ac34ed00c
SIZE (pseewald-fprettify-2b2801bf91dd651c417c232bb891d407bf81085c_GH0.tar.gz) = 142451
SHA256 (aradi-fypp-7895a7efb7d2f07dc284cece6cc9474297b8dc55_GH0.tar.gz) = 2c50b6b6f0a88e65b060d542b5b0500ca6573c27caf46c31a4c53c4624ab2ff4
SIZE (aradi-fypp-7895a7efb7d2f07dc284cece6cc9474297b8dc55_GH0.tar.gz) = 65419
TIMESTAMP = 1653344192
SHA256 (cp2k-cp2k-v9.1.0_GH0.tar.gz) = e0cd859e506435a38454eeaaa3bc2c1656ffd5d22698062957c84f8b4f426126
SIZE (cp2k-cp2k-v9.1.0_GH0.tar.gz) = 76638939
SHA256 (cp2k-dbcsr-f4df17b_GH0.tar.gz) = 997d143729028cb43c165c7bab85159a2ab485e9b9f2076129156c69eb67d82d
SIZE (cp2k-dbcsr-f4df17b_GH0.tar.gz) = 2663121
SHA256 (pseewald-fprettify-71781aa_GH0.tar.gz) = 4115e800c24cc66da569245bee97ea4db18833c8a63d97769c866d2384cbbfb5
SIZE (pseewald-fprettify-71781aa_GH0.tar.gz) = 155272

View File

@ -1,18 +1,15 @@
--- Makefile.orig 2020-05-20 01:09:16 UTC
--- Makefile.orig 2021-12-31 09:29:59 UTC
+++ Makefile
@@ -13,9 +13,9 @@ endif
ifneq ($(SPACK_COMPILER_SPEC),)
# SPACK_COMPILER_SPEC is set when running in a Spack build-env
- ARCH := $(shell spack arch)-$(shell echo $${SPACK_COMPILER_SPEC%%@*})
+ XARCH := $(shell spack arch)-$(shell echo $${SPACK_COMPILER_SPEC%%@*})
else
- ARCH := local
+ XARCH := local
@@ -11,7 +11,7 @@ CP2KHOME := $(abspath $(shell pwd))
export CP2KHOME
endif
export VERSION=sopt
@@ -32,7 +32,7 @@ PRETTYOBJDIR := $(CP2KHOME)/obj/prettified
-ARCH := local
+XARCH := local
export VERSION=ssmp
MAKEFILE := $(CP2KHOME)/Makefile
@@ -26,7 +26,7 @@ PRETTYOBJDIR := $(CP2KHOME)/obj/prettified
DOXIFYOBJDIR := $(CP2KHOME)/obj/doxified
TOOLSRC := $(CP2KHOME)/tools
SRCDIR := $(CP2KHOME)/src
@ -21,7 +18,7 @@
REVISION := $(shell $(CP2KHOME)/tools/build_utils/get_revision_number $(SRCDIR))
EXTSDIR := exts
@@ -54,13 +54,13 @@ EXE_NAMES := $(basename $(notdir $(ALL_EXE_FILES)))
@@ -48,15 +48,15 @@ EXE_NAMES := $(basename $(notdir $(ALL_EXE_FILES)))
# this only happens on stage 3 and 4
ifneq ($(ONEVERSION),)
MODDEPS = "lower"
@ -29,6 +26,8 @@
-LIBDIR := $(MAINLIBDIR)/$(ARCH)/$(ONEVERSION)
+include $(ARCHDIR)/$(XARCH).$(ONEVERSION)
+LIBDIR := $(MAINLIBDIR)/$(XARCH)/$(ONEVERSION)
PKGCONFIGDIR := $(LIBDIR)/pkgconfig
PKGCONFIG := $(PKGCONFIGDIR)/libcp2k.pc
LIBEXTSDIR := $(LIBDIR)/$(EXTSDIR)
-OBJDIR := $(MAINOBJDIR)/$(ARCH)/$(ONEVERSION)
+OBJDIR := $(MAINOBJDIR)/$(XARCH)/$(ONEVERSION)
@ -36,77 +35,72 @@
OBJEXTSINCL := $(foreach dir,$(EXTSPACKAGES),-I'$(OBJEXTSDIR)/$(dir)')
-TSTDIR := $(MAINTSTDIR)/$(ARCH)/$(ONEVERSION)
+TSTDIR := $(MAINTSTDIR)/$(XARCH)/$(ONEVERSION)
ifeq ($(NVCC),)
ifeq ($(OFFLOAD_CC),)
EXE_NAMES := $(basename $(notdir $(filter-out %.cu, $(ALL_EXE_FILES))))
endif
@@ -142,7 +142,7 @@ all: makedep | dirs exts
@@ -159,7 +159,7 @@ all: makedep | dirs exts
# foreground testing, compilation happens in do_regtest
test: dirs
- cd $(TSTDIR); $(TOOLSRC)/regtesting/do_regtest -quick -arch $(ARCH) -version $(ONEVERSION) -cp2kdir ../../../ $(TESTOPTS)
+ cd $(TSTDIR); $(TOOLSRC)/regtesting/do_regtest -quick -arch $(XARCH) -version $(ONEVERSION) -cp2kdir ../../../ $(TESTOPTS)
# compilation for testing happens here
test: dirs makedep all
- @$(TOOLSRC)/regtesting/print_environment.sh $(ARCH) $(ONEVERSION)
+ @$(TOOLSRC)/regtesting/print_environment.sh $(XARCH) $(ONEVERSION)
@+$(MAKE) --no-print-directory -C $(TSTDIR) -f $(MAKEFILE) test INCLUDE_DEPS=true
# background testing, compilation happens here
testbg: dirs makedep all
@@ -222,7 +222,7 @@ $(EXEDIR)/cp2k_shell.$(ONEVERSION): $(EXEDIR)/cp2k.$(O
@@ -263,11 +263,11 @@ $(EXEDIR)/cp2k_shell.$(ONEVERSION): $(EXEDIR)/cp2k.$(O
cd $(EXEDIR); ln -sf cp2k.$(ONEVERSION) cp2k_shell.$(ONEVERSION)
test:
- @$(TOOLSRC)/regtesting/do_regtest.py $(ARCH) $(ONEVERSION) $(TESTOPTS)
+ @$(TOOLSRC)/regtesting/do_regtest.py $(XARCH) $(ONEVERSION) $(TESTOPTS)
testbg:
@echo "testing: $(ONEVERSION) : full log in $(TSTDIR)/regtest.log "
- @$(TOOLSRC)/regtesting/do_regtest -nobuild $(ARCH) -version $(ONEVERSION) -cp2kdir ../../../ $(TESTOPTS) >& $(TSTDIR)/regtest.log
+ @$(TOOLSRC)/regtesting/do_regtest -nobuild $(XARCH) -version $(ONEVERSION) -cp2kdir ../../../ $(TESTOPTS) >& $(TSTDIR)/regtest.log
@cat `grep 'regtesting location error_summary file:' $(TSTDIR)/regtest.log | awk '{print $$NF}'`
@cat `grep 'regtesting location summary file:' $(TSTDIR)/regtest.log | awk '{print $$NF}'`
@grep "Number of FAILED tests 0" $(TSTDIR)/regtest.log >& /dev/null
@@ -278,31 +278,31 @@ define get_extensions
- @$(TOOLSRC)/regtesting/do_regtest.py $(ARCH) $(ONEVERSION) $(TESTOPTS) > $(TSTDIR)/regtest.log 2>&1
+ @$(TOOLSRC)/regtesting/do_regtest.py $(XARCH) $(ONEVERSION) $(TESTOPTS) > $(TSTDIR)/regtest.log 2>&1
@grep -e "Summary:" -e "Status:" $(TSTDIR)/regtest.log
endif
@@ -320,9 +320,9 @@ define get_extensions
$(shell test -d $(1) && find $(1) -type f -name "*.*" ! -name "*.gcda" | sed 's|.*\.||' | sort -u)
endef
clean:
- @echo rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(ARCH)/$(v))
- @$(foreach v, $(VERSION), $(foreach ext, $(call get_extensions, $(MAINOBJDIR)/$(ARCH)/$(v)/), $(shell rm -rf $(MAINOBJDIR)/$(ARCH)/$(v)/*.$(ext))))
- rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(ARCH)/$(v))
-OTHER_HELP += "clean : Remove intermediate object and mod files, but not the libraries and executables, for given ARCH and VERSION"
+ @echo rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(XARCH)/$(v))
+ @$(foreach v, $(VERSION), $(foreach ext, $(call get_extensions, $(MAINOBJDIR)/$(XARCH)/$(v)/), $(shell rm -rf $(MAINOBJDIR)/$(XARCH)/$(v)/*.$(ext))))
+ rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(XARCH)/$(v))
+OTHER_HELP += "clean : Remove intermediate object and mod files, but not the libraries and executables, for given XARCH and VERSION"
OTHER_HELP += "clean : Remove intermediate object and mod files, but not the libraries and executables, for given ARCH and VERSION"
execlean:
rm -rf $(foreach v, $(VERSION), $(EXEDIR)/*.$(v))
-OTHER_HELP += "execlean : Remove the executables, for given ARCH and VERSION"
+OTHER_HELP += "execlean : Remove the executables, for given XARCH and VERSION"
#
# delete the intermediate files, the programs and libraries and anything that might be in the objdir or libdir directory
# The Intel compiler creates a corresponding .dbg file for each executable when static linking of the Intel MPI library is requested (flag -static_mpi)
@@ -336,16 +336,16 @@ OTHER_HELP += "execlean : Remove the executables, for
# Use this if you want to fully rebuild an executable (for a given compiler and or VERSION)
#
realclean: extclean clean execlean
- rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(ARCH)/$(v))
- rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(ARCH)/$(v))
-OTHER_HELP += "realclean : Remove all files for given ARCH and VERSION"
+ rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(XARCH)/$(v))
+ rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(XARCH)/$(v))
+OTHER_HELP += "realclean : Remove all files for given XARCH and VERSION"
OTHER_HELP += "realclean : Remove all files for given ARCH and VERSION"
testclean:
- rm -rf $(foreach v, $(VERSION), $(MAINTSTDIR)/$(ARCH)/$(v)/TEST-*)
-OTHER_HELP += "testclean : Remove all TEST-* files for given ARCH and VERSION"
+ rm -rf $(foreach v, $(VERSION), $(MAINTSTDIR)/$(XARCH)/$(v)/TEST-*)
+OTHER_HELP += "testclean : Remove all TEST-* files for given XARCH and VERSION"
OTHER_HELP += "testclean : Remove all TEST-* files for given ARCH and VERSION"
testrealclean: testclean
- rm -rf $(foreach v, $(VERSION), $(MAINTSTDIR)/$(ARCH)/$(v)/LAST-*)
-OTHER_HELP += "testrealclean : Remove all LAST-* and TEST-* files for given ARCH and VERSION"
+ rm -rf $(foreach v, $(VERSION), $(MAINTSTDIR)/$(XARCH)/$(v)/LAST-*)
+OTHER_HELP += "testrealclean : Remove all LAST-* and TEST-* files for given XARCH and VERSION"
OTHER_HELP += "testrealclean : Remove all LAST-* and TEST-* files for given ARCH and VERSION"
#
# Remove all files from previous builds
@@ -457,7 +457,7 @@ FORCE: ;
@@ -515,7 +515,7 @@ FORCE: ;
cp2k_info.o: $(GIT_REF)
# Add some practical metadata about the build.
-FCFLAGS += -D__COMPILE_ARCH="\"$(ARCH)\""\
+FCFLAGS += -D__COMPILE_ARCH="\"$(XARCH)\""\
-D__COMPILE_DATE="\"$(shell date)\""\
-D__COMPILE_HOST="\"$(shell hostname)\""\
-D__COMPILE_REVISION="\"$(strip $(REVISION))\""\
-D__COMPILE_DATE="\"$(shell date)\""\
-D__COMPILE_HOST="\"$(shell hostname 2>/dev/null || hostnamectl --transient)\""\
-D__COMPILE_REVISION="\"$(strip $(REVISION))\""\

View File

@ -1,11 +1,29 @@
--- exts/Makefile.inc.orig 2020-05-20 01:23:28 UTC
--- exts/Makefile.inc.orig 2021-12-31 09:29:59 UTC
+++ exts/Makefile.inc
@@ -14,7 +14,7 @@ extclean: dbcsrclean
@@ -36,7 +36,7 @@ extclean: dbcsrclean
dbcsr:
+$(MAKE) -C $(EXTSHOME)/$@ -f .cp2k/Makefile \
- INCLUDEMAKE=$(ARCHDIR)/$(ARCH).$(ONEVERSION) \
+ INCLUDEMAKE=$(ARCHDIR)/$(XARCH).$(ONEVERSION) \
+$(MAKE) -C $(EXTSHOME)/$@ -f $(EXTSHOME)/build_$@/Makefile \
- ARCHFILE=$(ARCHDIR)/$(ARCH).$(ONEVERSION) \
+ ARCHFILE=$(ARCHDIR)/$(XARCH).$(ONEVERSION) \
LIBDIR=$(LIBEXTSDIR)/$@ \
OBJDIR=$(OBJEXTSDIR)/$@ \
ACC="$(NVCC)" \
USE_ACCEL="$(DBCSR_USE_ACCEL)" \
@@ -45,7 +45,7 @@ dbcsr:
dbcsrversion:
@$(MAKE) -C $(EXTSHOME)/dbcsr -f $(EXTSHOME)/build_dbcsr/Makefile \
- ARCHFILE=$(ARCHDIR)/$(ARCH).$(ONEVERSION) \
+ ARCHFILE=$(ARCHDIR)/$(XARCH).$(ONEVERSION) \
USE_ACCEL="$(DBCSR_USE_ACCEL)" \
ACC="$(DBCSR_ACC)" \
ACCFLAGS="$(DBCSR_ACCFLAGS)" \
@@ -54,7 +54,7 @@ dbcsrversion:
dbcsrclean:
@echo "Clean DBCSR"
@$(MAKE) -C $(EXTSHOME)/dbcsr -f $(EXTSHOME)/build_dbcsr/Makefile \
- ARCHFILE=$(ARCHDIR)/$(ARCH).$(ONEVERSION) \
+ ARCHFILE=$(ARCHDIR)/$(XARCH).$(ONEVERSION) \
LIBDIR=$(LIBEXTSDIR)/$@ \
OBJDIR=$(OBJEXTSDIR)/$@ \
USE_ACCEL="$(DBCSR_USE_ACCEL)" \

View File

@ -0,0 +1,11 @@
--- exts/build_dbcsr/Makefile.orig 2021-12-31 09:29:59 UTC
+++ exts/build_dbcsr/Makefile
@@ -47,7 +47,7 @@ MAKEFILE := $(DBCSRCP2K)/Makefile
LIBDIR := $(DBCSRHOME)/lib
OBJDIR := $(DBCSRHOME)/obj
TOOLSDIR := $(DBCSRHOME)/tools
-FYPPEXE := $(TOOLSDIR)/build_utils/fypp/bin/fypp
+FYPPEXE := $(PREFIX)/bin/fypp
SRCDIR := $(DBCSRHOME)/src
TESTSDIR := $(DBCSRHOME)/tests
ARCHFILE :=