trexio/Makefile.am

# 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
BUILT_SOURCES = trex.json
if HAVE_FORTRAN
BUILT_SOURCES += trexio.mod
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 \
  trex.org

if HAVE_HDF5
ORG_FILES += src/templates_hdf5/templator_hdf5.org
endif

src_libtrexio_la_SOURCES = $(trexio_h) $(SOURCES)

# Include CMake-related files in the distribution.
EXTRA_DIST += CMakeLists.txt \
              trex.json \
              src/CMakeLists.txt \
              tests/CMakeLists.txt \
              tests/test_macros.h  \
              cmake/cmake_uninstall.cmake.in \
              cmake/FindTREXIO.cmake


# =============== TESTS =============== #

TEST_FILES = \
    tests/delete_group.c \
    tests/delete_group_hdf5.c \
    tests/delete_group_text.c \
    tests/io_all.c \
    tests/io_determinant.c \
    tests/io_determinant_hdf5.c \
    tests/io_determinant_text.c \
    tests/io_dset_float.c \
    tests/io_dset_float_hdf5.c \
    tests/io_dset_float_text.c \
    tests/io_dset_int.c \
    tests/io_dset_int_hdf5.c \
    tests/io_dset_int_text.c \
    tests/io_dset_sparse.c \
    tests/io_dset_sparse_hdf5.c \
    tests/io_dset_sparse_text.c \
    tests/io_dset_str.c \
    tests/io_dset_str_hdf5.c \
    tests/io_dset_str_text.c \
    tests/io_jastrow.c \
    tests/io_jastrow_hdf5.c \
    tests/io_jastrow_text.c \
    tests/io_num.c \
    tests/io_num_hdf5.c \
    tests/io_num_text.c \
    tests/io_safe_dset_float.c \
    tests/io_safe_dset_float_hdf5.c \
    tests/io_safe_dset_float_text.c \
    tests/io_str.c \
    tests/io_str_hdf5.c \
    tests/io_str_text.c \
    tests/open.c \
    tests/open_hdf5.c \
    tests/open_text.c \
    tests/overwrite_all.c \
    tests/overwrite_all_hdf5.c \
    tests/overwrite_all_text.c \
    tests/pre_close.c \
    tests/template_hdf5.c \
    tests/template_text.c \
    tests/test_f.f90 \
    tests/test_macros.h \
    tests/trexio_f.f90

EXTRA_DIST += $(TEST_FILES)

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/trex.html             \
               docs/README.html           \
               docs/templator_front.html  \
               docs/templator_text.html
if HAVE_HDF5
HTML_TANGLED += docs/templator_hdf5.html
endif

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

trex.json: $(trexio_h)

$(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


if HAVE_HDF5
python-test: $(TEST_PY)
	python3 -m pytest -v --all $(TEST_PY)
	$(RM) -r  -- __pycache__
	$(RM) -f  -- test_file_py.h5 unsafe_test_file_py.h5
	$(RM) -rf -- test_file_py.dir unsafe_test_file_py.dir
else
python-test: $(TEST_PY)
	python3 -m pytest -v $(TEST_PY)
	$(RM) -r  -- __pycache__
	$(RM) -rf -- test_file_py.dir unsafe_test_file_py.dir
endif

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

if HAVE_HDF5
$(pytrexio_py): $(pytrexio_c)
	cd tools && ./prepare_python.sh
else
$(pytrexio_py): $(pytrexio_c)
	cd tools && ./prepare_python.sh --without-hdf5
endif

# Build Python module and C wrapper code for TREXIO using SWIG
$(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) \
              $(srcdir)/src/trexio.py \
              $(srcdir)/src/pytrexio.py \
              $(srcdir)/src/trexio.h \
              python/src/*.c \
              python/src/*.h

.PHONY: cppcheck python-test python-install python-sdist check-numpy FORCE ocaml

endif