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qmckl/configure.ac
Francois Coppens 2e45927e04 Added AVX2 detection to autoconfig script. 
Fixed minor SIMD bug in tests.
2023-01-30 17:35:11 +01:00

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# -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.
#
# QMCkl - Quantum Monte Carlo kernel library
#
# BSD 3-Clause License
#
# Copyright (c) 2020, TREX Center of Excellence
# All rights reserved.
#
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions are met:
#
# 1. Redistributions of source code must retain the above copyright notice, this
# list of conditions and the following disclaimer.
#
# 2. Redistributions in binary form must reproduce the above copyright notice,
# this list of conditions and the following disclaimer in the documentation
# and/or other materials provided with the distribution.
#
# 3. Neither the name of the copyright holder nor the names of its
# contributors may be used to endorse or promote products derived from
# this software without specific prior written permission.
#
# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
# AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
# IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
# DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
# FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
# DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
# SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
# CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
# OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
# OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
AC_PREREQ([2.69])
AC_INIT([qmckl],[0.3.1],[https://github.com/TREX-CoE/qmckl/issues],[],[https://trex-coe.github.io/qmckl/index.html])
AC_CONFIG_AUX_DIR([tools])
AM_INIT_AUTOMAKE([subdir-objects color-tests parallel-tests silent-rules 1.11])
# Activate developer mode when the .maintainer_mode file is found
# Otherwise, it is the source distribution and the developer mode should not be activated.
AS_IF([test -f ${srcdir}/.maintainer_mode],
[enable_maintainer_mode="yes"],
[enable_maintainer_mode="no"]
)
# Intel Fortran compiler
AC_ARG_WITH([ifort],
[AS_HELP_STRING([--with-ifort],
[Use Intel Fortran compiler])],
[with_ifort=$withval],
[with_ifort=no])
AS_IF([test "x$with_ifort" = "xyes"], [
FC=ifort
FCFLAGS="-march=native -ip -Ofast -ftz -finline -g -mkl=sequential" ])
# Intel C compiler
AC_ARG_WITH([icc],
[AS_HELP_STRING([--with-icc],
[Use Intel C compiler])],
[with_icc=$withval],
[with_icc=no])
AS_IF([test "x$with_icc" = "xyes"], [
CC=icc
CFLAGS="-march=native -ip -Ofast -ftz -finline -g -mkl=sequential" ])
AS_IF([test "x$with_icc.$with_ifort" = "xyes.yes"], [
ax_blas_ok="yes"
ax_lapack_ok="yes"
BLAS_LIBS=""
LAPACK_LIBS=""])
# Default Automake variables
F77=$FC
AM_PROG_AR
AM_MAINTAINER_MODE()
LT_INIT
AC_CONFIG_SRCDIR([configure.ac])
AC_CONFIG_HEADERS([include/config.h])
AC_CONFIG_MACRO_DIR([m4])
VERSION_MAJOR=`echo ${PACKAGE_VERSION} | cut -d. -f1`
VERSION_MINOR=`echo ${PACKAGE_VERSION} | cut -d. -f2`
VERSION_PATCH=`echo ${PACKAGE_VERSION} | cut -d. -f3 | cut -d- -f1`
AC_DEFINE_UNQUOTED([QMCKL_VERSION_MAJOR], [$VERSION_MAJOR], [major version])
AC_DEFINE_UNQUOTED([QMCKL_VERSION_MINOR], [$VERSION_MINOR], [minor version])
AC_DEFINE_UNQUOTED([QMCKL_VERSION_PATCH], [$VERSION_PATCH], [patch version])
AC_SUBST([VERSION_MAJOR])
AC_SUBST([VERSION_MINOR])
AC_SUBST([VERSION_PATCH])
AM_SILENT_RULES(yes)
AC_LANG(C)
# Checks for programs.
AC_PROG_CC
AC_PROG_F77
# Make sure the c compiler supports C99
m4_version_prereq([2.70],[], [AC_PROG_CC_C99])
AS_IF([test "x$ac_cv_prog_cc_c99" = "xno"], [AC_MSG_ERROR([The compiler does not support C99])])
AC_PROG_CC_C_O
AM_PROG_CC_C_O
AC_PROG_FC
AC_PROG_FC_C_O
AC_FC_PP_DEFINE
AC_FC_SRCEXT([F90])
AC_FC_FREEFORM
AC_PROG_INSTALL
AC_PROG_LN_S
PKG_PROG_PKG_CONFIG([])
# Checks for libraries.
PKG_LIBS=""
PKG_CFLAGS=""
PKG_LIBS2=""
PKG_CFLAGS2=""
AC_FC_LIBRARY_LDFLAGS
AC_CHECK_LIB([m], [sqrt])
AC_CHECK_HEADERS([assert.h errno.h math.h pthread.h stdbool.h stdint.h stdio.h stdlib.h string.h])
## pthread
AC_CHECK_LIB([pthread], [pthread_create])
# OpenMP
AC_ARG_WITH(openmp, [AS_HELP_STRING([--without-openmp],[deactivate OpenMP])], with_omp=$withval, with_omp=yes)
AS_IF([test "x$with_omp" = xyes], [
AC_DEFINE([HAVE_OPENMP], [1], [Define to use OpenMP threading.])
AX_OPENMP([],
[AC_MSG_ERROR([Could not find OpenMP flags; configure with --without-openmp])])
CFLAGS="${CFLAGS} ${OPENMP_CFLAGS}"
FCFLAGS="${CFLAGS} ${OPENMP_FCFLAGS}"
])
# CHAMELEON
#AC_ARG_WITH(chameleon,
# AS_HELP_STRING([--without-chameleon],
# [Do not use Chameleon. Default: auto-detect]),
# [case "$with_chameleon" in
# no)
# : ;;
# yes)
# PKG_CHECK_MODULES([LIBCHAMELEON],[chameleon >= 1.0.0],
# [PKG_CFLAGS="$PKG_CFLAGS $LIBCHAMELEON_CFLAGS"
# PKG_LIBS2="$PKG_LIBS2 $LIBCHAMELEON_LIBS"]
# ,[
#
# ## something went wrong.
# ## try to find the package without pkg-config
#
# ## check that the library is actually new enough.
# ## by testing for a 1.0.0+ function which we use
# AC_CHECK_LIB(chameleon,CHAMELEON_finalize,[LIBCHAMELEON_LIBS="-lchameleon"])
# ])
# AH_TEMPLATE(HAVE_CHAMELEON,[Chameleon support is available])
# ;;
# *)
# if test ! -d "$withval" ; then
# AC_MSG_ERROR([--with-chameleon argument does not point to a directory])
# fi
# LIBCHAMELEON_LIBS="-L$with_chameleon/lib -lchameleon -lchameleon_starpu -lhqr -lcoreblas"
# LIBCHAMELEON_CFLAGS="-I$with_chameleon/include $CFLAGS"
# LIBCHAMELEON_CPPFLAGS="-I$with_chameleon/include $CPPFLAGS"
# esac
# ])
#
#if test "x$LIBCHAMELEON_LIBS" != "x" ; then
# LIBS="$LIBS $LIBCHAMELEON_LIBS"
# CFLAGS="$CFLAGS $LIBCHAMELEON_CFLAGS"
# CPPFLAGS="$CPPFLAGS $LIBCHAMELEON_CPPFLAGS"
# AC_CHECK_HEADERS([chameleon.h], [], [AC_MSG_ERROR("chamelon.h not found")])
# AC_DEFINE_UNQUOTED([HAVE_CHAMELEON],1,[CHAMELEON support is available])
#fi
#
#AC_MSG_NOTICE([CHAMELEON library support: ${with_CHAMELEON:=auto} ${LIBCHAMELEON_PATH} ${LIBCHAMELEON_LIBS}])
# TREXIO
AC_ARG_WITH([trexio],
[AS_HELP_STRING([--without-trexio],
[disable support for TREXIO])],
[with_trexio=$withval],
[with_trexio=yes])
AS_CASE([$with_trexio],
[no], [],
[yes],
[AC_CHECK_LIB([trexio], [trexio_open], [],
[PKG_CHECK_MODULES([TREXIO], [trexio]) ])
CFLAGS="$CFLAGS $TREXIO_CFLAGS"
LIBS="$LIBS $TREXIO_LIBS"
AC_CHECK_HEADERS([trexio.h], [],
[AC_MSG_ERROR("trexio.h not found")])
AC_DEFINE([HAVE_TREXIO], [1], [Define if TREXIO support is available])
ARGS="${ARGS} trexio"],
[AS_IF([test ! -d "$withval"],
[AC_MSG_ERROR([--with-trexio=$withval: argument is not a directory])])
TREXIO_LIBS="-L$with_trexio/lib -ltrexio"
TREXIO_CFLAGS="-I$with_trexio/include"
CFLAGS="$CFLAGS $TREXIO_CFLAGS"
LIBS="$LIBS $TREXIO_LIBS"
AC_CHECK_HEADERS([trexio.h], [],
[AC_MSG_ERROR("trexio.h not found")])
AC_DEFINE([HAVE_TREXIO], [1], [Define if TREXIO support is available])
ARGS="${ARGS} trexio"
])
PKG_CFLAGS2="$PKG_CFLAGS2 $TREXIO_CFLAGS"
PKG_LIBS2="$PKG_LIBS2 $TREXIO_LIBS"
# Checking SIMD
AC_MSG_CHECKING([for SIMD length])
SIMD_LENGTH=1
AC_RUN_IFELSE(
[AC_LANG_PROGRAM([],[
int simd=1;
#if defined(__AVX512F__)
simd=8;
#elif defined(__AVX2__)
simd=4;
#elif defined(__AVX__)
simd=4;
#elif defined(__SSE2__)
simd=2;
#elif defined(__ARM_NEON__)
simd=2;
#endif
return simd;
])], [SIMD_LENGTH=1],
[ AS_CASE([$?],
[1], [SIMD_LENGTH=1],
[2], [SIMD_LENGTH=2],
[4], [SIMD_LENGTH=4],
[8], [SIMD_LENGTH=8],
[16], [SIMD_LENGTH=16],
[SIMD_LENGTH=1])],
[SIMD_LENGTH=1]
)
AC_MSG_RESULT([$SIMD_LENGTH])
AC_DEFINE_UNQUOTED([SIMD_LENGTH], [$SIMD_LENGTH], [Length of SIMD vectors])
# QMCKLDGEMM
AC_ARG_WITH([qmckldgemm],
[AS_HELP_STRING([--with-qmckldgemm],
[enable support for QMCKL DGEMM])],
[with_qmckldgemm=$withval],
[with_qmckldgemm=no])
AS_CASE([$with_qmckldgemm],
[no], [],
[yes],
[AC_CHECK_LIB([qmckldgemm], [qmckl_packed_matrix_create], [],
[PKG_CHECK_MODULES([QMCKLDGEMM], [qmckldgemm]) ])
CFLAGS="$CFLAGS $QMCKLDGEMM_CFLAGS"
LIBS="$LIBS $QMCKLDGEMM_LIBS"
AC_CHECK_HEADERS([qmckl_dgemm.h], [],
[AC_MSG_ERROR("qmckl_dgemm.h not found")])
AC_DEFINE([HAVE_QMCKLDGEMM], [1], [Define if QMCKL DGEMM support is available])
ARGS="${ARGS} qmckldgemm"],
[AS_IF([test ! -d "$withval"],
[AC_MSG_ERROR([--with-qmckldgemm=$withval: argument is not a directory])])
QMCKLDGEMM_LIBS="-L$with_qmckldgemm/lib -lqmckldgemm"
QMCKLDGEMM_CFLAGS="-I$with_qmckldgemm/include"
CFLAGS="$CFLAGS $QMCKLDGEMM_CFLAGS"
LIBS="$LIBS $QMCKLDGEMM_LIBS"
echo $CFLAGS
AC_CHECK_HEADERS([qmckl_dgemm.h], [],
[AC_MSG_ERROR("qmckl_dgemm.h not found")])
AC_DEFINE([HAVE_QMCKLDGEMM], [1], [Define if QMCKL DGEMM support is available])
ARGS="${ARGS} qmckldgemm"
])
PKG_CFLAGS2="$PKG_CFLAGS2 $QMCKLDGEMM_CFLAGS"
PKG_LIBS2="$PKG_LIBS2 $QMCKLDGEMM_LIBS"
## BLAS
AX_BLAS([], [AC_MSG_ERROR([BLAS was not found.])])
## LAPACK
AX_LAPACK([], [AC_MSG_ERROR([LAPACK was not found.])])
AS_IF([test "$BLAS_LIBS" = "$LAPACK_LIBS"], [BLAS_LIBS=""])
# Specific options required with some compilers
AS_CASE([$FC],
[*ifort*], [FCFLAGS="$FCFLAGS -nofor-main"],
[*nvfortran*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"],
[*pgf90*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"],
[*pgf77*], [FCFLAGS="$FCFLAGS -fPIC -Mnomain"],
[])
AS_CASE([$CC],
[*gcc*], [CFLAGS="$CFLAGS -fPIC"],
[*nvc*], [CFLAGS="$CFLAGS -fPIC"],
[*pgcc*], [CFLAGS="$CFLAGS -fPIC"],
[])
# Options
AC_ARG_ENABLE([hpc],
[AS_HELP_STRING([--enable-hpc],
[Use HPC-optimized functions])],
[enable_hpc=$enableval],
[enable_hpc=no])
AS_IF([test "x$enable_hpc" = "xyes"],
[AC_DEFINE([HAVE_HPC], [1], [Activate HPC routines])])
AC_ARG_ENABLE([doc],
[AS_HELP_STRING([--disable-doc],
[Disable documentation])],
[enable_doc=$enableval],
[enable_doc=yes])
AM_CONDITIONAL([HAVE_DOC],[test "x$enable_doc" = "xyes"])
# Enable Verificarlo tests
AC_ARG_ENABLE([vfc_ci],
[AS_HELP_STRING([--enable-vfc_ci],
[Build the library with vfc_ci support])],
[enable_vfc_ci=$enableval],
[enable_vfc_ci=no])
AS_IF([test "x$enable_vfc_ci" = "xyes"],
[FCFLAGS="-D VFC_CI $FCFLAGS"
CFLAGS="-D VFC_CI $CFLAGS"
LIBS="$LIBS -lvfc_probes"])
AM_CONDITIONAL([VFC_CI], [test "x$vfc_ci" = "xtrue"])
AS_IF([test "$FC" = "verificarlo-f"], [
AC_MSG_NOTICE(verificarlo-f detected)
# Arguments order is important here
FCFLAGS="-Mpreprocess $FCFLAGS"
])
## Enable GPU offloading
# GPU offloading
AC_ARG_ENABLE(gpu, [AS_HELP_STRING([--enable-gpu],[openmp|openacc : Use GPU-offloaded functions])], enable_gpu=$enableval, enable_gpu=no)
AS_IF([test "x$enable_gpu" = "xyes"], [enable_gpu="openmp"])
# OpenMP offloading
HAVE_OPENMP_OFFLOAD="no"
AS_IF([test "x$enable_gpu" = "xopenmp"], [
AC_DEFINE([HAVE_OPENMP_OFFLOAD], [1], [If defined, activate OpenMP-offloaded routines])
HAVE_OPENMP_OFFLOAD="yes"
AS_CASE([$CC],
[*gcc*], [CFLAGS="$CFLAGS -fopenmp"],
[*nvc*], [CFLAGS="$CFLAGS -mp=gpu"],
[])
AS_CASE([$FC],
[*gfortran*], [FCFLAGS="$FCFLAGS -fopenmp"],
[*nvfortran*], [FCFLAGS="$FCFLAGS -mp=gpu"],
[])
]
)
# OpenMP offloading
HAVE_OPENACC_OFFLOAD="no"
AS_IF([test "x$enable_gpu" = "xopenacc"], [
AC_DEFINE([HAVE_OPENACC_OFFLOAD], [1], [If defined, activate OpenACC-offloaded routines])
HAVE_OPENACC_OFFLOAD="yes"
AS_CASE([$CC],
[*gcc*], [CFLAGS="$CFLAGS -fopenacc"],
[*nvc*], [CFLAGS="$CFLAGS -acc=gpu"],
[])
AS_CASE([$FC],
[*gfortran*], [FCFLAGS="$FCFLAGS -fopenacc"],
[*nvfortran*], [FCFLAGS="$FCFLAGS -acc=gpu"],
[])
]
])
# cuBLAS offloading
AC_ARG_WITH(cublas, [AS_HELP_STRING([--with-cublas],[Use cuBLAS-offloaded functions])], HAVE_CUBLAS_OFFLOAD=$withval, HAVE_CUBLAS_OFFLOAD=no)
AS_IF([test "x$HAVE_CUBLAS_OFFLOAD" = "xyes"], [
AC_DEFINE([HAVE_CUBLAS_OFFLOAD], [1], [If defined, activate cuBLAS-offloaded routines])
HAVE_OPENACC_OFFLOAD="yes"
AS_CASE([$CC],
[*gcc*], [CFLAGS="$CFLAGS -fopenmp"
LDFLAGS="-lcublas"],
[*nvc*], [CFLAGS="$CFLAGS -mp=gpu -cudalib=cublas"],
[])
AS_CASE([$FC],
[*gfortran*], [FCFLAGS="$FCFLAGS -fopenmp"],
[*nvfortran*], [FCFLAGS="$FCFLAGS -mp=gpu -cudalib=cublas"],
[])
]
])
AC_ARG_ENABLE(malloc-trace, [AS_HELP_STRING([--enable-malloc-trace],[use debug malloc/free])], ok=$enableval, ok=no)
AS_IF([test "x$ok" = "xyes"], [
AC_DEFINE(MALLOC_TRACE,"malloc_trace.dat",[Define to use debugging malloc/free])
ARGS="${ARGS} malloc-trace"
])
AC_ARG_ENABLE(prof, [AS_HELP_STRING([--enable-prof],[compile for profiling])], ok=$enableval, ok=no)
AS_IF([test "x$ok" = "xyes"], [
CFLAGS="${CFLAGS} -pg"
AC_DEFINE(ENABLE_PROF,1,[Define when using the profiler tool])
ARGS="${ARGS} prof"
])
AC_ARG_WITH(efence, [AS_HELP_STRING([--with-efence],[use ElectricFence library])], ok=$withval, ok=no)
AS_IF([test "x$ok" = "xyes"], [
AC_CHECK_LIB([efence], [malloc])
ARGS="${ARGS} efence"
])
##
AC_ARG_ENABLE(debug, [AS_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no)
AS_IF([test "x$ok" = "xyes"], [
AS_IF([test "x$GCC" = "xyes"], [
CPPFLAGS="-Wdate-time -D_FORTIFY_SOURCE=2"
CFLAGS="$CFLAGS \
-g -Wall -W -Wbad-function-cast -Wcast-qual -Warray-bounds -Wdisabled-optimization \
-fsanitize=address -fno-omit-frame-pointer -fstack-protector-strong -Wformat -Werror=format-security \
-Wpointer-arith -Wcast-align -Wpedantic -Wextra -Walloc-zero -Werror \
"
LDFLAGS="$LDFLAGS -fsanitize=address"
])
AS_IF([test "x$GFC" = "xyes"], [
FCFLAGS="$FCFLAGS \
-g -fcheck=all -Waliasing -Wampersand -Wconversion \
-Wsurprising -ffpe-trap=zero,overflow,underflow \
-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan"
])
AS_IF([test "x$FC" = "xifort"], [
FCFLAGS="$FCFLAGS \
-traceback -check all -debug all -fpe-all=0 -implicitnone"
])
AC_DEFINE(DEBUG,1,[Define to turn on debugging checks])
ARGS="${ARGS} debug"
])
# Checks for header files.
## qmckl
AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h])
# Checks for typedefs, structures, and compiler characteristics.
## qmckl
AC_CHECK_HEADER_STDBOOL
AC_TYPE_INT32_T
AC_TYPE_INT64_T
AC_TYPE_SIZE_T
AC_TYPE_UINT32_T
AC_TYPE_UINT64_T
# Checks for library functions.
## qmckl
# AC_FUNC_MALLOC
AC_CHECK_FUNCS([memset strerror])
# Development mode
QMCKL_DEVEL=
AS_IF([test "x$enable_maintainer_mode" = "xyes"],
[QMCKL_DEVEL=" -- Developer mode"])
AM_CONDITIONAL([QMCKL_DEVEL],[test "x$QMCKL_DEVEL" != x])
AC_ARG_ENABLE([python],
[AS_HELP_STRING([--enable-python],
[Enable building the Python binding])],
[enable_python=$enableval],
[enable_python=no])
AM_CONDITIONAL([HAVE_PYTHON],[test "x$enable_python" = "xyes"])
AS_IF([test "x${QMCKL_DEVEL}" != "x"], [
AC_PROG_AWK
AM_PATH_PYTHON
AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
AS_IF([test "x${EMACS}" = "xno"],
[AC_MSG_ERROR([
--------------------------------------
Error: Emacs is required for org-mode.
--------------------------------------
])])
AC_CHECK_PROGS([HAS_CPPCHECK],[cppcheck],[no])
AS_IF([test "x${HAS_CPPCHECK}" != "xno"], [HAS_CPPCHECK=1])
AS_IF([test "x$enable_python" = "xyes"], [
AX_PKG_SWIG(4.0.0, [], AC_MSG_WARN([SWIG is required to build Python API.]) )
] )
])
#PKG-CONFIG
#mkl-dynamic-lp64-seq
PKG_LIBS="$PKG_LIBS $LIBS"
LIBS="$BLAS_LIBS $LAPACK_LIBS $PKG_LIBS"
CFLAGS="$CFLAGS $PKG_CFLAGS"
PKG_LIBS="$PKG_LIBS $PKG_LIBS2"
PKG_CFLAGS="$PKG_CFLAGS $PKG_CFLAGS2"
AC_SUBST([PKG_LIBS])
AC_SUBST([PKG_CFLAGS])
AC_SUBST([HAS_CPPCHECK])
AC_CONFIG_FILES([Makefile
pkgconfig/qmckl.pc
])
AC_OUTPUT
echo \
"-------------------------------------------------
${PACKAGE_NAME} Version ${PACKAGE_VERSION} ${QMCKL_DEVEL}
Prefix: '${prefix}'.
CC..............: ${CC}
CFLAGS..........: ${CFLAGS}
CPPFLAGS........: ${CPPFLAGS}
FC..............: ${FC}
FCFLAGS.........: ${FCFLAGS}
HPC version.....: ${HAVE_HPC}
LDFLAGS:........: ${LDFLAGS}
LIBS............: ${LIBS}
OPENMP..........: ${with_omp}
PYTHON..........: ${enable_python}
QMCKL_DGEMM.....: ${with_qmckldgemm}
TREXIO..........: ${with_trexio}
Package features:
${ARGS}
Now type 'make @<:@<target>@:>@'
where the optional <target> is:
all - build the library
check - run tests
install - install ${PACKAGE_NAME}
--------------------------------------------------"
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