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qmckl/tools/build_qmckl_f.sh

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#!/bin/bash
# Script to build the final qmckl_f.f90 file
set -e
# All the produced header files are concatenated in the =qmckl_f.f90=
# file, located in the share/qmckl/fortran directory.
# Check required environment variables
# ------------------------------------
if [[ -z ${srcdir} ]] ; then
echo "Error: srcdir environment variable is not defined"
exit 1
fi
if [[ -z ${qmckl_f} ]] ; then
echo "Error: qmckl_f environment variable is not defined"
exit 1
fi
# Generate Fortran interface file
# -------------------------------
HEADERS_TYPE="${srcdir}/src/qmckl_*_fh_type.f90"
HEADERS="${srcdir}/src/qmckl_*_fh_func.f90"
OUTPUT="${qmckl_f}"
cat << EOF > ${OUTPUT}
!
! ------------------------------------------
! QMCkl - Quantum Monte Carlo kernel library
! ------------------------------------------
!
! Documentation : https://trex-coe.github.io/qmckl
! Issues : https://github.com/trex-coe/qmckl/issues
!
! 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.
!
!
!
!
!
module qmckl
use, intrinsic :: iso_c_binding
EOF
for i in ${HEADERS_TYPE}
do
cat $i >> ${OUTPUT}
done
for i in ${HEADERS}
do
cat $i >> ${OUTPUT}
done
cat << EOF >> ${OUTPUT}
end module qmckl
EOF