mirror of https://github.com/TREX-CoE/trexio.git
391 lines
10 KiB
Makefile
391 lines
10 KiB
Makefile
# TREXIO - TREX Input/Output library
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#
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# BSD 3-Clause License
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#
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# Copyright (c) 2020, TREX Center of Excellence
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# All rights reserved.
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#
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# Redistribution and use in source and binary forms, with or without
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# modification, are permitted provided that the following conditions are met:
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#
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# 1. Redistributions of source code must retain the above copyright notice, this
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# list of conditions and the following disclaimer.
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#
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# 2. Redistributions in binary form must reproduce the above copyright notice,
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# this list of conditions and the following disclaimer in the documentation
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# and/or other materials provided with the distribution.
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#
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# 3. Neither the name of the copyright holder nor the names of its
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# contributors may be used to endorse or promote products derived from
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# this software without specific prior written permission.
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#
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# THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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# AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
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# IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
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# DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
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# FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
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# DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
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# SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
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# CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
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# OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
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# OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
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# =============== SETTINGS =============== #
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ACLOCAL_AMFLAGS = -I m4
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CLEANFILES = trexio.mod
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BUILT_SOURCES = trex.json
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if HAVE_FORTRAN
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BUILT_SOURCES += trexio.mod
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endif
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EXTRA_DIST = .git_hash
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PACKAGE_VERSION = @PACKAGE_VERSION@
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SUBDIRS =
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pkgconfigdir = $(libdir)/pkgconfig
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pkgconfig_DATA = pkgconfig/trexio.pc
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# =============== BUILD =============== #
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trexio_h = include/trexio.h
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include_HEADERS = $(trexio_h)
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if HAVE_FORTRAN
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trexio_f = include/trexio_f.f90
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include_HEADERS += $(trexio_f)
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endif
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AM_CPPFLAGS = -I$(srcdir)/src -I$(srcdir)/include
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lib_LTLIBRARIES = src/libtrexio.la
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SOURCES = \
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src/trexio.c \
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src/trexio_private.h \
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src/trexio_s.h \
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src/trexio_text.c \
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src/trexio_text.h
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if HAVE_HDF5
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SOURCES += src/trexio_hdf5.c \
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src/trexio_hdf5.h
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endif
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ORG_FILES = \
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src/templates_front/templator_front.org \
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src/templates_text/templator_text.org \
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trex.org
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if HAVE_HDF5
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ORG_FILES += src/templates_hdf5/templator_hdf5.org
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endif
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src_libtrexio_la_SOURCES = $(trexio_h) $(SOURCES)
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# Include CMake-related files in the distribution.
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EXTRA_DIST += CMakeLists.txt \
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trex.json \
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src/CMakeLists.txt \
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tests/CMakeLists.txt \
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tests/test_macros.h \
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cmake/cmake_uninstall.cmake.in \
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cmake/FindTREXIO.cmake
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# =============== TESTS =============== #
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TEST_FILES = \
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tests/delete_group.c \
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tests/delete_group_hdf5.c \
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tests/delete_group_text.c \
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tests/io_all.c \
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tests/io_determinant.c \
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tests/io_determinant_hdf5.c \
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tests/io_determinant_text.c \
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tests/io_dset_float.c \
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tests/io_dset_float_hdf5.c \
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tests/io_dset_float_text.c \
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tests/io_dset_int.c \
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tests/io_dset_int_hdf5.c \
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tests/io_dset_int_text.c \
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tests/io_dset_sparse.c \
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tests/io_dset_sparse_hdf5.c \
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tests/io_dset_sparse_text.c \
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tests/io_dset_str.c \
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tests/io_dset_str_hdf5.c \
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tests/io_dset_str_text.c \
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tests/io_jastrow.c \
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tests/io_jastrow_hdf5.c \
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tests/io_jastrow_text.c \
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tests/io_num.c \
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tests/io_num_hdf5.c \
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tests/io_num_text.c \
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tests/io_safe_dset_float.c \
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tests/io_safe_dset_float_hdf5.c \
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tests/io_safe_dset_float_text.c \
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tests/io_str.c \
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tests/io_str_hdf5.c \
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tests/io_str_text.c \
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tests/open.c \
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tests/open_hdf5.c \
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tests/open_text.c \
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tests/overwrite_all.c \
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tests/overwrite_all_hdf5.c \
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tests/overwrite_all_text.c \
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tests/pre_close.c \
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tests/template_hdf5.c \
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tests/template_text.c \
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tests/test_f.f90 \
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tests/test_macros.h \
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tests/trexio_f.f90
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EXTRA_DIST += $(TEST_FILES)
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TESTS_C = \
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tests/open_text \
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tests/io_num_text \
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tests/io_dset_float_text \
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tests/io_dset_int_text \
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tests/io_dset_sparse_text \
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tests/io_determinant_text \
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tests/io_jastrow_text \
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tests/io_safe_dset_float_text \
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tests/io_str_text \
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tests/io_dset_str_text \
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tests/delete_group_text \
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tests/overwrite_all_text \
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tests/io_all \
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tests/pre_close
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if HAVE_HDF5
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TESTS_C += \
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tests/open_hdf5 \
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tests/io_num_hdf5 \
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tests/io_dset_float_hdf5 \
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tests/io_dset_int_hdf5 \
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tests/io_dset_sparse_hdf5 \
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tests/io_determinant_hdf5 \
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tests/io_jastrow_hdf5 \
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tests/io_safe_dset_float_hdf5 \
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tests/io_str_hdf5 \
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tests/io_dset_str_hdf5 \
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tests/delete_group_hdf5 \
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tests/overwrite_all_hdf5
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endif
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TESTS = $(TESTS_C)
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if HAVE_FORTRAN
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TESTS_F = tests/test_f
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TESTS += $(TESTS_F)
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endif
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check_PROGRAMS = $(TESTS)
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# specify common LDADD options for all tests
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LDADD = src/libtrexio.la
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if HAVE_FORTRAN
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test_trexio_f = tests/trexio_f.f90
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$(test_trexio_f): $(trexio_f)
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cp $(trexio_f) $(test_trexio_f)
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trexio.mod: tests/trexio_f.o
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tests_test_f_SOURCES = $(test_trexio_f) tests/test_f.f90
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endif
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clean-local:
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-rm -rf -- *.dir/ *.h5 __pycache__/
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# =============== GUIX MANIFEST =============== #
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trexio_scm = $(srcdir)/tools/trexio.scm
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EXTRA_DIST += $(trexio_scm)
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# =============== DOCUMENTATION =============== #
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HTML_TANGLED = docs/index.html \
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docs/examples.html \
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docs/trex.html \
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docs/README.html \
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docs/templator_front.html \
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docs/templator_text.html
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if HAVE_HDF5
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HTML_TANGLED += docs/templator_hdf5.html
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endif
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htmldir = $(docdir)
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# This $(htmlizer) file and the corresponding target rule allow to avoid circular dependency,
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# which was introduced before to force htmlization of org-mode files.
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# The circular dependency did not impose issues on GNU make but produced errors on bmake.
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htmlizer = docs/.htmlizer
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HTML_FILES = $(HTML_TANGLED) \
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docs/trexio.css \
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docs/tutorial_benzene.html \
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$(htmlizer)
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dist_html_DATA = $(HTML_FILES)
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$(HTML_TANGLED): $(htmlizer)
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html-local: $(dist_html_DATA)
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doc: html-local
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# =============== DEVELOPER MODE =============== #
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SWIG = @SWIG@
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HDF5_LDFLAGS = @HDF5_LDFLAGS@
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HDF5_CFLAGS = @HDF5_CFLAGS@
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HDF5_CPPFLAGS = @HDF5_CPPFLAGS@
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if TREXIO_DEVEL
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CLEANFILES += $(SOURCES) $(trexio_h) $(HTML_TANGLED) $(htmlizer) .git_hash
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BUILT_SOURCES += $(SOURCES) $(trexio_h)
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if HAVE_FORTRAN
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CLEANFILES += $(trexio_f)
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BUILT_SOURCES += $(trexio_f) $(test_trexio_f)
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$(trexio_f): $(trexio_h)
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endif
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.git_hash: FORCE
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git log | head -1 | cut -d ' ' -f 2 > .git_hash
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all: .git_hash
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GENERATOR_FILES = $(srcdir)/tools/generator.py \
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$(srcdir)/tools/generator_tools.py
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$(SOURCES): $(trexio_h)
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src/trexio.c: $(trexio_h)
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$(trexio_h): $(ORG_FILES) $(GENERATOR_FILES)
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cd $(srcdir)/tools && ./build_trexio.sh
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trex.json: $(trexio_h)
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$(htmlizer): $(ORG_FILES) $(srcdir)/src/README.org
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touch $(htmlizer)
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cd $(srcdir)/tools && ./build_doc.sh
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cppcheck: cppcheck.out
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cat cppcheck.out
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cppcheck.out: $(trexio_h)
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cd src/ && \
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cppcheck --addon=cert -q --error-exitcode=0 \
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--enable=all \
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--language=c --std=c99 -rp --platform=unix64 \
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-I../include *.c *.h 2>../$@
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#################
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# OCaml binding #
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#################
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ocaml/trexio/_build/default/lib/trexio.cma:
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$(MAKE) -C ocaml/trexio
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ocaml: ocaml/trexio/_build/default/lib/trexio.cma
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ocaml-install: ocaml/trexio/_build/default/lib/trexio.cma
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opam install ocaml/trexio
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##################
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# Python binding #
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##################
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setup_py = $(srcdir)/python/setup.py
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setup_cfg = $(srcdir)/python/setup.cfg
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pytrexio_py = $(srcdir)/python/pytrexio/pytrexio.py
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trexio_py = $(srcdir)/python/trexio.py
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TEST_PY = python/test/test_api.py
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pytrexio_c = $(srcdir)/src/pytrexio_wrap.c
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pytrexio_i = $(srcdir)/src/pytrexio.i
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numpy_i = $(srcdir)/src/numpy.i
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if HAVE_HDF5
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python-test: $(TEST_PY)
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python3 -m pytest -v --all $(TEST_PY)
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$(RM) -r -- __pycache__
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$(RM) -f -- test_file_py.h5 unsafe_test_file_py.h5
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$(RM) -rf -- test_file_py.dir unsafe_test_file_py.dir
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else
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python-test: $(TEST_PY)
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python3 -m pytest -v $(TEST_PY)
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$(RM) -r -- __pycache__
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$(RM) -rf -- test_file_py.dir unsafe_test_file_py.dir
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endif
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python-install: $(pytrexio_py) $(setup_py) $(setup_cfg)
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cd python && \
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./install_pytrexio.sh $(HDF5_CFLAGS) $(HDF5_CPPFLAGS) $(HDF5_LDFLAGS)
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python-sdist: $(pytrexio_py) $(setup_py) $(setup_cfg)
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cd python && \
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python3 -m build --sdist
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if HAVE_HDF5
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$(pytrexio_py): $(pytrexio_c)
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cd tools && ./prepare_python.sh
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else
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$(pytrexio_py): $(pytrexio_c)
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cd tools && ./prepare_python.sh --without-hdf5
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endif
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# Build Python module and C wrapper code for TREXIO using SWIG
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$(pytrexio_c): $(ORG_FILES) $(GENERATOR_FILES) $(trexio_h) $(pytrexio_i) $(numpy_i)
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@if [[ $(SWIG).x != ".x" ]] ; then \
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cp $(trexio_h) src/ ; \
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cd src/ && \
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$(SWIG) -python -py3 -o pytrexio_wrap.c pytrexio.i ; \
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$(RM) -- src/trexio.h ;\
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else echo "Error: SWIG is not installed" ; \
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exit 1 ; \
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fi
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$(numpy_i):
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wget https://raw.githubusercontent.com/numpy/numpy/main/tools/swig/numpy.i -O $(numpy_i)
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check-numpy:
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cd tools && ./check_numpy_i.sh
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# Include files needed to produce the debian package.
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DEB_FILES = \
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helpers-debian/changelog \
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helpers-debian/compat \
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helpers-debian/control \
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helpers-debian/copyright \
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helpers-debian/rules \
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helpers-debian/source \
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helpers-debian/libtrexio0.install \
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helpers-debian/libtrexio-dev.install \
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helpers-debian/source \
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helpers-debian/README.source
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debian_from_dist: $(DEB_FILES) $(SOURCES) $(trexio_h)
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cp ../trexio-$(PACKAGE_VERSION).tar.gz ../libtrexio_$(PACKAGE_VERSION).orig.tar.gz
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debuild
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CLEANFILES += $(pytrexio_c) \
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$(pytrexio_py) \
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$(trexio_py) \
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$(srcdir)/src/trexio.py \
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$(srcdir)/src/pytrexio.py \
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$(srcdir)/src/trexio.h \
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python/src/*.c \
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python/src/*.h
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.PHONY: cppcheck python-test python-install python-sdist check-numpy FORCE ocaml
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endif
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