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trexio/Makefile.am

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# TREXIO - TREX Input/Output 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.
# =============== SETTINGS =============== #
ACLOCAL_AMFLAGS = -I m4
CLEANFILES = trexio.mod
if HAVE_FORTRAN
BUILT_SOURCES = trexio.mod
else
BUILT_SOURCES =
endif
EXTRA_DIST = .git_hash
PACKAGE_VERSION = @PACKAGE_VERSION@
SUBDIRS =
pkgconfigdir = $(libdir)/pkgconfig
pkgconfig_DATA = pkgconfig/trexio.pc
# =============== BUILD =============== #
trexio_h = include/trexio.h
include_HEADERS = $(trexio_h)
if HAVE_FORTRAN
trexio_f = include/trexio_f.f90
include_HEADERS += $(trexio_f)
endif
AM_CPPFLAGS = -I$(srcdir)/src -I$(srcdir)/include
lib_LTLIBRARIES = src/libtrexio.la
SOURCES = \
src/trexio.c \
src/trexio_private.h \
src/trexio_s.h \
src/trexio_text.c \
src/trexio_text.h
if HAVE_HDF5
SOURCES += src/trexio_hdf5.c \
src/trexio_hdf5.h
endif
ORG_FILES = \
src/templates_front/templator_front.org \
src/templates_text/templator_text.org \
src/templates_hdf5/templator_hdf5.org \
trex.org
src_libtrexio_la_SOURCES = $(trexio_h) $(SOURCES)
# Include CMake-related files in the distribution.
EXTRA_DIST += CMakeLists.txt \
src/CMakeLists.txt \
tests/CMakeLists.txt \
cmake/cmake_uninstall.cmake.in \
cmake/FindTREXIO.cmake
# =============== TESTS =============== #
TESTS_C = \
tests/open_text \
tests/io_num_text \
tests/io_dset_float_text \
tests/io_dset_int_text \
tests/io_dset_sparse_text \
tests/io_determinant_text \
tests/io_jastrow_text \
tests/io_safe_dset_float_text \
tests/io_str_text \
tests/io_dset_str_text \
tests/delete_group_text \
tests/overwrite_all_text \
tests/io_all \
tests/pre_close
if HAVE_HDF5
TESTS_C += \
tests/open_hdf5 \
tests/io_num_hdf5 \
tests/io_dset_float_hdf5 \
tests/io_dset_int_hdf5 \
tests/io_dset_sparse_hdf5 \
tests/io_determinant_hdf5 \
tests/io_jastrow_hdf5 \
tests/io_safe_dset_float_hdf5 \
tests/io_str_hdf5 \
tests/io_dset_str_hdf5 \
tests/delete_group_hdf5 \
tests/overwrite_all_hdf5
endif
TESTS = $(TESTS_C)
if HAVE_FORTRAN
TESTS_F = tests/test_f
TESTS += $(TESTS_F)
endif
check_PROGRAMS = $(TESTS)
# specify common LDADD options for all tests
LDADD = src/libtrexio.la
if HAVE_FORTRAN
test_trexio_f = tests/trexio_f.f90
$(test_trexio_f): $(trexio_f)
cp $(trexio_f) $(test_trexio_f)
trexio.mod: tests/trexio_f.o
tests_test_f_SOURCES = $(test_trexio_f) tests/test_f.f90
endif
clean-local:
-rm -rf -- *.dir/ *.h5 __pycache__/
# =============== GUIX MANIFEST =============== #
trexio_scm = $(srcdir)/tools/trexio.scm
EXTRA_DIST += $(trexio_scm)
# =============== DOCUMENTATION =============== #
HTML_TANGLED = docs/index.html \
docs/examples.html \
docs/templator_hdf5.html \
docs/trex.html \
docs/README.html \
docs/templator_front.html \
docs/templator_text.html
htmldir = $(docdir)
# This $(htmlizer) file and the corresponding target rule allow to avoid circular dependency,
# which was introduced before to force htmlization of org-mode files.
# The circular dependency did not impose issues on GNU make but produced errors on bmake.
htmlizer = docs/.htmlizer
HTML_FILES = $(HTML_TANGLED) \
docs/trexio.css \
docs/tutorial_benzene.html \
$(htmlizer)
dist_html_DATA = $(HTML_FILES)
$(HTML_TANGLED): $(htmlizer)
html-local: $(dist_html_DATA)
doc: html-local
# =============== DEVELOPER MODE =============== #
SWIG = @SWIG@
HDF5_LDFLAGS = @HDF5_LDFLAGS@
HDF5_CFLAGS = @HDF5_CFLAGS@
HDF5_CPPFLAGS = @HDF5_CPPFLAGS@
if TREXIO_DEVEL
CLEANFILES += $(SOURCES) $(trexio_h) $(HTML_TANGLED) $(htmlizer) .git_hash
BUILT_SOURCES += $(SOURCES) $(trexio_h)
if HAVE_FORTRAN
CLEANFILES += $(trexio_f)
BUILT_SOURCES += $(trexio_f) $(test_trexio_f)
$(trexio_f): $(trexio_h)
endif
.git_hash: FORCE
git log | head -1 | cut -d ' ' -f 2 > .git_hash
all: .git_hash
GENERATOR_FILES = $(srcdir)/tools/generator.py \
$(srcdir)/tools/generator_tools.py
$(SOURCES): $(trexio_h)
src/trexio.c: $(trexio_h)
$(trexio_h): $(ORG_FILES) $(GENERATOR_FILES)
cd $(srcdir)/tools && ./build_trexio.sh
$(htmlizer): $(ORG_FILES) $(srcdir)/src/README.org
touch $(htmlizer)
cd $(srcdir)/tools && ./build_doc.sh
cppcheck: cppcheck.out
cat cppcheck.out
cppcheck.out: $(trexio_h)
cd src/ && \
cppcheck --addon=cert -q --error-exitcode=0 \
--enable=all \
--language=c --std=c99 -rp --platform=unix64 \
-I../include *.c *.h 2>../$@
#################
# OCaml binding #
#################
ocaml/trexio/_build/default/lib/trexio.cma:
$(MAKE) -C ocaml/trexio
ocaml: ocaml/trexio/_build/default/lib/trexio.cma
ocaml-install: ocaml/trexio/_build/default/lib/trexio.cma
opam install ocaml/trexio
##################
# Python binding #
##################
setup_py = $(srcdir)/python/setup.py
setup_cfg = $(srcdir)/python/setup.cfg
pytrexio_py = $(srcdir)/python/pytrexio/pytrexio.py
trexio_py = $(srcdir)/python/trexio.py
TEST_PY = python/test/test_api.py
pytrexio_c = $(srcdir)/src/pytrexio_wrap.c
pytrexio_i = $(srcdir)/src/pytrexio.i
numpy_i = $(srcdir)/src/numpy.i
python-test: $(TEST_PY)
python3 -m pytest -v $(TEST_PY)
$(RM) -r -- __pycache__
$(RM) -f -- test_file_py.h5 unsafe_test_file_py.h5
python-install: $(pytrexio_py) $(setup_py) $(setup_cfg)
cd python && \
./install_pytrexio.sh $(HDF5_CFLAGS) $(HDF5_CPPFLAGS) $(HDF5_LDFLAGS)
python-sdist: $(pytrexio_py) $(setup_py) $(setup_cfg)
cd python && \
python3 -m build --sdist
$(pytrexio_py): $(pytrexio_c)
cd tools && ./prepare_python.sh
# Build Python module and C wrapper code for TREXIO using SWIG
# [?] swig -python -threads pytrexio.i ----> Add thread support for all the interface
$(pytrexio_c): $(ORG_FILES) $(GENERATOR_FILES) $(trexio_h) $(pytrexio_i) $(numpy_i)
@if [[ $(SWIG).x != ".x" ]] ; then \
cp $(trexio_h) src/ ; \
cd src/ && \
$(SWIG) -python -py3 -o pytrexio_wrap.c pytrexio.i ; \
$(RM) -- src/trexio.h ;\
else echo "Error: SWIG is not installed" ; \
exit 1 ; \
fi
$(numpy_i):
wget https://raw.githubusercontent.com/numpy/numpy/main/tools/swig/numpy.i -O $(numpy_i)
check-numpy:
cd tools && ./check_numpy_i.sh
# Include files needed to produce the debian package.
DEB_FILES = \
helpers-debian/changelog \
helpers-debian/compat \
helpers-debian/control \
helpers-debian/copyright \
helpers-debian/rules \
helpers-debian/source \
helpers-debian/libtrexio0.install \
helpers-debian/libtrexio-dev.install \
helpers-debian/source \
helpers-debian/README.source
debian_from_dist: $(DEB_FILES) $(SOURCES) $(trexio_h)
cp ../trexio-$(PACKAGE_VERSION).tar.gz ../libtrexio_$(PACKAGE_VERSION).orig.tar.gz
debuild
CLEANFILES += $(pytrexio_c) \
$(pytrexio_py) \
$(trexio_py) \
python/src/*.c \
python/src/*.h
.PHONY: cppcheck python-test python-install python-sdist check-numpy FORCE ocaml
endif
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