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qmckl
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Working on automake

This commit is contained in:
Anthony Scemama 2021-05-11 11:45:49 +02:00
parent 18ef3a02b8
commit c61556ef77
31 changed files with 689 additions and 2525 deletions
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1
COPYING Symbolic link
View File

@ -0,0 +1 @@
LICENSE

74
Makefile.am
View File

@ -1,24 +1,24 @@
# 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
@ -37,10 +37,66 @@ VERSION_MAJOR = @VERSION_MAJOR@
VERSION_MINOR = @VERSION_MINOR@
VERSION_PATCH = @VERSION_PATCH@
SUBDIRS = src
SUBDIRS =
CLEANFILES =
pkgconfigdir = $(libdir)/pkgconfig
pkgconfig_DATA = qmckl.pc
pkgconfig_DATA = $(srcdir)/qmckl.pc
qmckl_h = $(srcdir)/include/qmckl.h
include_HEADERS = $(qmckl_h)
qmckl_f = $(srcdir)/share/qmckl/fortran/qmckl_f.f90
fortrandir = $(datadir)/$(PACKAGE_NAME)/fortran/
fortran_DATA = $(qmckl_f)
export srcdir qmckl_f qmckl_h
sources_tangled = src/qmckl_ao.c
if QMCKL_DEVEL
# <-----
dist_src_DATA = $(ORG_FILES)
BUILT_SOURCES = $(C_FILES) $(F_FILES) $(FH_FUNC_FILES) $(FH_TYPE_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES)
CLEANFILES += $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES)
# ----->
endif
## Silent
tangle_verbose = $(tangle_verbose_@AM_V@)
tangle_verbose_ = $(tangle_verbose_@AM_DEFAULT_V@)
tangle_verbose_0 = @echo " TANGLE $@";
cat_h_verbose = $(cat_h_verbose_@AM_V@)
cat_h_verbose_ = $(cat_h_verbose_@AM_DEFAULT_V@)
cat_h_verbose_0 = @echo " HEADER $@";
## Rules
include $(srcdir)/generated.mk
SUFFIXES = .f90 .h .org .c _f.f90 _func.h _type.h _private_func.h _private_type.h
$(srcdir)/generated.mk: $(ORG_FILES)
$(srcdir)/tools/build_makefile.sh
$(qmckl_h): $(H_FUNC_FILES) $(H_TYPE_FILES)
$(cat_h_verbose)$(srcdir)/tools/build_qmckl_h.sh
$(qmckl_f): $(FH_FUNC_FILES) $(FH_TYPE_FILES)
$(cat_h_verbose)$(srcdir)/tools/build_qmckl_f.sh
$(srcdir)/src/qmckl_f.f90: $(qmckl_f)
cp $(qmckl_f) $(srcdir)/src/qmckl_f.f90
#lib_LTLIBRARIES = $(top_srcdir)/src/libqmckl.la
#
#$(top_srcdir)/src/libqmckl.la;
# $(MAKE) -C src libqmckl.la
#
rpms srcrpm:
for dir in $(SUBDIRS); do \
@ -49,6 +105,4 @@ rpms srcrpm:
.PHONY: rpms srcrpm
README: README.md
COPYING: LICENSE

261
Makefile.in
View File

@ -17,24 +17,24 @@
# 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
@ -46,6 +46,7 @@
# 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.
VPATH = @srcdir@
am__is_gnu_make = { \
if test -z '$(MAKELEVEL)'; then \
@ -120,6 +121,7 @@ PRE_UNINSTALL = :
POST_UNINSTALL = :
build_triplet = @build@
host_triplet = @host@
@QMCKL_DEVEL_TRUE@am__append_1 = $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES)
subdir = .
ACLOCAL_M4 = $(top_srcdir)/aclocal.m4
am__aclocal_m4_deps = $(top_srcdir)/m4/libtool.m4 \
@ -129,7 +131,8 @@ am__aclocal_m4_deps = $(top_srcdir)/m4/libtool.m4 \
am__configure_deps = $(am__aclocal_m4_deps) $(CONFIGURE_DEPENDENCIES) \
$(ACLOCAL_M4)
DIST_COMMON = $(srcdir)/Makefile.am $(top_srcdir)/configure \
$(am__configure_deps) $(am__DIST_COMMON)
$(am__configure_deps) $(am__dist_src_DATA_DIST) \
$(include_HEADERS) $(am__DIST_COMMON)
am__CONFIG_DISTCLEAN_FILES = config.status config.cache config.log \
configure.lineno config.status.lineno
mkinstalldirs = $(install_sh) -d
@ -163,6 +166,13 @@ am__can_run_installinfo = \
n|no|NO) false;; \
*) (install-info --version) >/dev/null 2>&1;; \
esac
am__dist_src_DATA_DIST = $(srcdir)/org/qmckl_ao.org \
$(srcdir)/org/qmckl_context.org \
$(srcdir)/org/qmckl_distance.org \
$(srcdir)/org/qmckl_electron.org $(srcdir)/org/qmckl_error.org \
$(srcdir)/org/qmckl_memory.org $(srcdir)/org/qmckl_numprec.org \
$(srcdir)/org/qmckl.org $(srcdir)/org/README.org \
$(srcdir)/org/test_qmckl.org
am__vpath_adj_setup = srcdirstrip=`echo "$(srcdir)" | sed 's|.|.|g'`;
am__vpath_adj = case $$p in \
$(srcdir)/*) f=`echo "$$p" | sed "s|^$$srcdirstrip/||"`;; \
@ -190,8 +200,10 @@ am__uninstall_files_from_dir = { \
|| { echo " ( cd '$$dir' && rm -f" $$files ")"; \
$(am__cd) "$$dir" && rm -f $$files; }; \
}
am__installdirs = "$(DESTDIR)$(pkgconfigdir)"
DATA = $(pkgconfig_DATA)
am__installdirs = "$(DESTDIR)$(srcdir)" "$(DESTDIR)$(fortrandir)" \
"$(DESTDIR)$(pkgconfigdir)" "$(DESTDIR)$(includedir)"
DATA = $(dist_src_DATA) $(fortran_DATA) $(pkgconfig_DATA)
HEADERS = $(include_HEADERS)
RECURSIVE_CLEAN_TARGETS = mostlyclean-recursive clean-recursive \
distclean-recursive maintainer-clean-recursive
am__recursive_targets = \
@ -221,10 +233,10 @@ ETAGS = etags
CTAGS = ctags
CSCOPE = cscope
DIST_SUBDIRS = $(SUBDIRS)
am__DIST_COMMON = $(srcdir)/Makefile.in $(srcdir)/qmckl.pc.in \
$(top_srcdir)/include/config.h.in AUTHORS COPYING ChangeLog \
INSTALL NEWS README compile config.guess config.sub depcomp \
install-sh ltmain.sh missing
am__DIST_COMMON = $(srcdir)/Makefile.in $(srcdir)/generated.mk \
$(srcdir)/qmckl.pc.in $(top_srcdir)/include/config.h.in \
AUTHORS COPYING ChangeLog INSTALL NEWS README compile \
config.guess config.sub depcomp install-sh ltmain.sh missing
DISTFILES = $(DIST_COMMON) $(DIST_SOURCES) $(TEXINFOS) $(EXTRA_DIST)
distdir = $(PACKAGE)-$(VERSION)
top_distdir = $(distdir)
@ -281,7 +293,6 @@ CFLAGS = @CFLAGS@
CPP = @CPP@
CPPFLAGS = @CPPFLAGS@
CYGPATH_W = @CYGPATH_W@
C_FILES = @C_FILES@
DEFS = @DEFS@
DEPDIR = @DEPDIR@
DLLTOOL = @DLLTOOL@
@ -298,15 +309,8 @@ FCFLAGS = @FCFLAGS@
FCFLAGS_f90 = @FCFLAGS_f90@
FCLIBS = @FCLIBS@
FGREP = @FGREP@
FH_FUNC_FILES = @FH_FUNC_FILES@
FH_TYPE_FILES = @FH_TYPE_FILES@
F_FILES = @F_FILES@
GREP = @GREP@
HAS_CPPCHECK = @HAS_CPPCHECK@
H_FUNC_FILES = @H_FUNC_FILES@
H_PRIVATE_FUNC_FILES = @H_PRIVATE_FUNC_FILES@
H_PRIVATE_TYPE_FILES = @H_PRIVATE_TYPE_FILES@
H_TYPE_FILES = @H_TYPE_FILES@
INSTALL = @INSTALL@
INSTALL_DATA = @INSTALL_DATA@
INSTALL_PROGRAM = @INSTALL_PROGRAM@
@ -329,7 +333,6 @@ NM = @NM@
NMEDIT = @NMEDIT@
OBJDUMP = @OBJDUMP@
OBJEXT = @OBJEXT@
ORG_FILES = @ORG_FILES@
OTOOL = @OTOOL@
OTOOL64 = @OTOOL64@
PACKAGE = @PACKAGE@
@ -409,15 +412,50 @@ top_build_prefix = @top_build_prefix@
top_builddir = @top_builddir@
top_srcdir = @top_srcdir@
ACLOCAL_AMFLAGS = -I m4
SUBDIRS = src
SUBDIRS =
CLEANFILES = $(am__append_1)
pkgconfigdir = $(libdir)/pkgconfig
pkgconfig_DATA = qmckl.pc
all: all-recursive
pkgconfig_DATA = $(srcdir)/qmckl.pc
qmckl_h = $(srcdir)/include/qmckl.h
include_HEADERS = $(qmckl_h)
qmckl_f = $(srcdir)/share/qmckl/fortran/qmckl_f.f90
fortrandir = $(datadir)/$(PACKAGE_NAME)/fortran/
fortran_DATA = $(qmckl_f)
sources_tangled = src/qmckl_ao.c
# <-----
@QMCKL_DEVEL_TRUE@dist_src_DATA = $(ORG_FILES)
@QMCKL_DEVEL_TRUE@BUILT_SOURCES = $(C_FILES) $(F_FILES) $(FH_FUNC_FILES) $(FH_TYPE_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES)
# ----->
tangle_verbose = $(tangle_verbose_@AM_V@)
tangle_verbose_ = $(tangle_verbose_@AM_DEFAULT_V@)
tangle_verbose_0 = @echo " TANGLE $@";
cat_h_verbose = $(cat_h_verbose_@AM_V@)
cat_h_verbose_ = $(cat_h_verbose_@AM_DEFAULT_V@)
cat_h_verbose_0 = @echo " HEADER $@";
ORG_FILES = $(srcdir)/org/qmckl_ao.org $(srcdir)/org/qmckl_context.org $(srcdir)/org/qmckl_distance.org $(srcdir)/org/qmckl_electron.org $(srcdir)/org/qmckl_error.org $(srcdir)/org/qmckl_memory.org $(srcdir)/org/qmckl_numprec.org $(srcdir)/org/qmckl.org $(srcdir)/org/README.org $(srcdir)/org/test_qmckl.org
C_FILES = $(srcdir)/src/qmckl_ao.c $(srcdir)/src/qmckl_context.c $(srcdir)/src/qmckl_electron.c $(srcdir)/src/qmckl_error.c $(srcdir)/src/qmckl_memory.c $(srcdir)/src/qmckl_numprec.c
F_FILES = $(srcdir)/src/qmckl_ao_f.f90 $(srcdir)/src/qmckl_distance_f.f90 $(srcdir)/src/qmckl_electron_f.f90
C_O_FILES = $(srcdir)/src/qmckl_ao.o $(srcdir)/src/qmckl_context.o $(srcdir)/src/qmckl_electron.o $(srcdir)/src/qmckl_error.o $(srcdir)/src/qmckl_memory.o $(srcdir)/src/qmckl_numprec.o
F_O_FILES =
FH_FUNC_FILES = $(srcdir)/src/qmckl_ao_fh_func.f90 $(srcdir)/src/qmckl_context_fh_func.f90 $(srcdir)/src/qmckl_distance_fh_func.f90 $(srcdir)/src/qmckl_error_fh_func.f90 $(srcdir)/src/qmckl_numprec_fh_func.f90
FH_TYPE_FILES = $(srcdir)/src/qmckl_context_fh_type.f90 $(srcdir)/src/qmckl_error_fh_type.f90
H_FUNC_FILES = $(srcdir)/src/qmckl_ao_func.h $(srcdir)/src/qmckl_context_func.h $(srcdir)/src/qmckl_distance_func.h $(srcdir)/src/qmckl_electron_func.h $(srcdir)/src/qmckl_error_func.h $(srcdir)/src/qmckl_memory_func.h $(srcdir)/src/qmckl_numprec_func.h
H_TYPE_FILES = $(srcdir)/src/qmckl_context_type.h $(srcdir)/src/qmckl_error_type.h $(srcdir)/src/qmckl_numprec_type.h
H_PRIVATE_FUNC_FILES = $(srcdir)/src/qmckl_ao_private_func.h $(srcdir)/src/qmckl_electron_private_func.h $(srcdir)/src/qmckl_memory_private_func.h
H_PRIVATE_TYPE_FILES = $(srcdir)/src/qmckl_ao_private_type.h $(srcdir)/src/qmckl_context_private_type.h $(srcdir)/src/qmckl_electron_private_type.h $(srcdir)/src/qmckl_error_private_type.h $(srcdir)/src/qmckl_memory_private_type.h $(srcdir)/src/qmckl_numprec_private_type.h
C_TEST_FILES = $(srcdir)/src/test_qmckl_ao.c $(srcdir)/src/test_qmckl_context.c $(srcdir)/src/test_qmckl_distance.c $(srcdir)/src/test_qmckl_electron.c $(srcdir)/src/test_qmckl_error.c $(srcdir)/src/test_qmckl_memory.c $(srcdir)/src/test_qmckl_numprec.c
F_TEST_FILES = $(srcdir)/src/test_qmckl_ao_f.f90 $(srcdir)/src/test_qmckl_distance_f.f90
SUFFIXES = .f90 .h .org .c _f.f90 _func.h _type.h _private_func.h _private_type.h
all: $(BUILT_SOURCES)
$(MAKE) $(AM_MAKEFLAGS) all-recursive
.SUFFIXES:
.SUFFIXES: .f90 .h .org .c _f.f90 _func.h _type.h _private_func.h _private_type.h
am--refresh: Makefile
@:
$(srcdir)/Makefile.in: @MAINTAINER_MODE_TRUE@ $(srcdir)/Makefile.am $(am__configure_deps)
$(srcdir)/Makefile.in: @MAINTAINER_MODE_TRUE@ $(srcdir)/Makefile.am $(srcdir)/generated.mk $(am__configure_deps)
@for dep in $?; do \
case '$(am__configure_deps)' in \
*$$dep*) \
@ -439,6 +477,7 @@ Makefile: $(srcdir)/Makefile.in $(top_builddir)/config.status
echo ' cd $(top_builddir) && $(SHELL) ./config.status $@ $(am__maybe_remake_depfiles)'; \
cd $(top_builddir) && $(SHELL) ./config.status $@ $(am__maybe_remake_depfiles);; \
esac;
$(srcdir)/generated.mk $(am__empty):
$(top_builddir)/config.status: $(top_srcdir)/configure $(CONFIG_STATUS_DEPENDENCIES)
$(SHELL) ./config.status --recheck
@ -474,6 +513,48 @@ clean-libtool:
distclean-libtool:
-rm -f libtool config.lt
install-dist_srcDATA: $(dist_src_DATA)
@$(NORMAL_INSTALL)
@list='$(dist_src_DATA)'; test -n "$(srcdir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(srcdir)'"; \
$(MKDIR_P) "$(DESTDIR)$(srcdir)" || exit 1; \
fi; \
for p in $$list; do \
if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \
echo "$$d$$p"; \
done | $(am__base_list) | \
while read files; do \
echo " $(INSTALL_DATA) $$files '$(DESTDIR)$(srcdir)'"; \
$(INSTALL_DATA) $$files "$(DESTDIR)$(srcdir)" || exit $$?; \
done
uninstall-dist_srcDATA:
@$(NORMAL_UNINSTALL)
@list='$(dist_src_DATA)'; test -n "$(srcdir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(srcdir)'; $(am__uninstall_files_from_dir)
install-fortranDATA: $(fortran_DATA)
@$(NORMAL_INSTALL)
@list='$(fortran_DATA)'; test -n "$(fortrandir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(fortrandir)'"; \
$(MKDIR_P) "$(DESTDIR)$(fortrandir)" || exit 1; \
fi; \
for p in $$list; do \
if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \
echo "$$d$$p"; \
done | $(am__base_list) | \
while read files; do \
echo " $(INSTALL_DATA) $$files '$(DESTDIR)$(fortrandir)'"; \
$(INSTALL_DATA) $$files "$(DESTDIR)$(fortrandir)" || exit $$?; \
done
uninstall-fortranDATA:
@$(NORMAL_UNINSTALL)
@list='$(fortran_DATA)'; test -n "$(fortrandir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(fortrandir)'; $(am__uninstall_files_from_dir)
install-pkgconfigDATA: $(pkgconfig_DATA)
@$(NORMAL_INSTALL)
@list='$(pkgconfig_DATA)'; test -n "$(pkgconfigdir)" || list=; \
@ -495,6 +576,27 @@ uninstall-pkgconfigDATA:
@list='$(pkgconfig_DATA)'; test -n "$(pkgconfigdir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(pkgconfigdir)'; $(am__uninstall_files_from_dir)
install-includeHEADERS: $(include_HEADERS)
@$(NORMAL_INSTALL)
@list='$(include_HEADERS)'; test -n "$(includedir)" || list=; \
if test -n "$$list"; then \
echo " $(MKDIR_P) '$(DESTDIR)$(includedir)'"; \
$(MKDIR_P) "$(DESTDIR)$(includedir)" || exit 1; \
fi; \
for p in $$list; do \
if test -f "$$p"; then d=; else d="$(srcdir)/"; fi; \
echo "$$d$$p"; \
done | $(am__base_list) | \
while read files; do \
echo " $(INSTALL_HEADER) $$files '$(DESTDIR)$(includedir)'"; \
$(INSTALL_HEADER) $$files "$(DESTDIR)$(includedir)" || exit $$?; \
done
uninstall-includeHEADERS:
@$(NORMAL_UNINSTALL)
@list='$(include_HEADERS)'; test -n "$(includedir)" || list=; \
files=`for p in $$list; do echo $$p; done | sed -e 's|^.*/||'`; \
dir='$(DESTDIR)$(includedir)'; $(am__uninstall_files_from_dir)
# This directory's subdirectories are mostly independent; you can cd
# into them and run 'make' without going through this Makefile.
@ -794,14 +896,16 @@ distcleancheck: distclean
$(distcleancheck_listfiles) ; \
exit 1; } >&2
check-am: all-am
check: check-recursive
all-am: Makefile $(DATA)
check: $(BUILT_SOURCES)
$(MAKE) $(AM_MAKEFLAGS) check-recursive
all-am: Makefile $(DATA) $(HEADERS)
installdirs: installdirs-recursive
installdirs-am:
for dir in "$(DESTDIR)$(pkgconfigdir)"; do \
for dir in "$(DESTDIR)$(srcdir)" "$(DESTDIR)$(fortrandir)" "$(DESTDIR)$(pkgconfigdir)" "$(DESTDIR)$(includedir)"; do \
test -z "$$dir" || $(MKDIR_P) "$$dir"; \
done
install: install-recursive
install: $(BUILT_SOURCES)
$(MAKE) $(AM_MAKEFLAGS) install-recursive
install-exec: install-exec-recursive
install-data: install-data-recursive
uninstall: uninstall-recursive
@ -823,6 +927,7 @@ install-strip:
mostlyclean-generic:
clean-generic:
-test -z "$(CLEANFILES)" || rm -f $(CLEANFILES)
distclean-generic:
-test -z "$(CONFIG_CLEAN_FILES)" || rm -f $(CONFIG_CLEAN_FILES)
@ -831,6 +936,7 @@ distclean-generic:
maintainer-clean-generic:
@echo "This command is intended for maintainers to use"
@echo "it deletes files that may require special tools to rebuild."
-test -z "$(BUILT_SOURCES)" || rm -f $(BUILT_SOURCES)
clean: clean-recursive
clean-am: clean-generic clean-libtool mostlyclean-am
@ -853,7 +959,8 @@ info: info-recursive
info-am:
install-data-am: install-pkgconfigDATA
install-data-am: install-dist_srcDATA install-fortranDATA \
install-includeHEADERS install-pkgconfigDATA
install-dvi: install-dvi-recursive
@ -899,9 +1006,11 @@ ps: ps-recursive
ps-am:
uninstall-am: uninstall-pkgconfigDATA
uninstall-am: uninstall-dist_srcDATA uninstall-fortranDATA \
uninstall-includeHEADERS uninstall-pkgconfigDATA
.MAKE: $(am__recursive_targets) install-am install-strip
.MAKE: $(am__recursive_targets) all check install install-am \
install-strip
.PHONY: $(am__recursive_targets) CTAGS GTAGS TAGS all all-am \
am--refresh check check-am clean clean-cscope clean-generic \
@ -911,18 +1020,85 @@ uninstall-am: uninstall-pkgconfigDATA
distclean-hdr distclean-libtool distclean-tags distcleancheck \
distdir distuninstallcheck dvi dvi-am html html-am info \
info-am install install-am install-data install-data-am \
install-dvi install-dvi-am install-exec install-exec-am \
install-html install-html-am install-info install-info-am \
install-man install-pdf install-pdf-am install-pkgconfigDATA \
install-ps install-ps-am install-strip installcheck \
installcheck-am installdirs installdirs-am maintainer-clean \
maintainer-clean-generic mostlyclean mostlyclean-generic \
mostlyclean-libtool pdf pdf-am ps ps-am tags tags-am uninstall \
uninstall-am uninstall-pkgconfigDATA
install-dist_srcDATA install-dvi install-dvi-am install-exec \
install-exec-am install-fortranDATA install-html \
install-html-am install-includeHEADERS install-info \
install-info-am install-man install-pdf install-pdf-am \
install-pkgconfigDATA install-ps install-ps-am install-strip \
installcheck installcheck-am installdirs installdirs-am \
maintainer-clean maintainer-clean-generic mostlyclean \
mostlyclean-generic mostlyclean-libtool pdf pdf-am ps ps-am \
tags tags-am uninstall uninstall-am uninstall-dist_srcDATA \
uninstall-fortranDATA uninstall-includeHEADERS \
uninstall-pkgconfigDATA
.PRECIOUS: Makefile
export srcdir qmckl_f qmckl_h
$(srcdir)/src/qmckl_context.c $(srcdir)/src/qmckl_context_func.h $(srcdir)/src/qmckl_context_type.h $(srcdir)/src/qmckl_context_private_type.h $(srcdir)/src/qmckl_context_fh_func.f90 $(srcdir)/src/qmckl_context_fh_type.f90 $(srcdir)/src/test_qmckl_context.c : org/qmckl_context.org
$(tangle_verbose)$(srcdir)/tools/tangle.sh org/qmckl_context.org
$(srcdir)/src/qmckl_ao.c $(srcdir)/src/qmckl_ao_func.h $(srcdir)/src/qmckl_ao_private_type.h $(srcdir)/src/qmckl_ao_private_func.h $(srcdir)/src/qmckl_ao_f.f90 $(srcdir)/src/qmckl_ao_fh_func.f90 $(srcdir)/src/test_qmckl_ao.c $(srcdir)/src/test_qmckl_ao_f.f90 : org/qmckl_ao.org
$(tangle_verbose)$(srcdir)/tools/tangle.sh org/qmckl_ao.org
$(srcdir)/src/qmckl_numprec.c $(srcdir)/src/qmckl_numprec_func.h $(srcdir)/src/qmckl_numprec_type.h $(srcdir)/src/qmckl_numprec_private_type.h $(srcdir)/src/qmckl_numprec_fh_func.f90 $(srcdir)/src/test_qmckl_numprec.c : org/qmckl_numprec.org
$(tangle_verbose)$(srcdir)/tools/tangle.sh org/qmckl_numprec.org
$(srcdir)/src/qmckl_electron.c $(srcdir)/src/qmckl_electron_func.h $(srcdir)/src/qmckl_electron_private_type.h $(srcdir)/src/qmckl_electron_private_func.h $(srcdir)/src/qmckl_electron_f.f90 $(srcdir)/src/test_qmckl_electron.c : org/qmckl_electron.org
$(tangle_verbose)$(srcdir)/tools/tangle.sh org/qmckl_electron.org
$(srcdir)/src/qmckl_error.c $(srcdir)/src/qmckl_error_func.h $(srcdir)/src/qmckl_error_type.h $(srcdir)/src/qmckl_error_private_type.h $(srcdir)/src/qmckl_error_fh_func.f90 $(srcdir)/src/qmckl_error_fh_type.f90 $(srcdir)/src/test_qmckl_error.c : org/qmckl_error.org
$(tangle_verbose)$(srcdir)/tools/tangle.sh org/qmckl_error.org
$(srcdir)/src/qmckl_distance_func.h $(srcdir)/src/qmckl_distance_f.f90 $(srcdir)/src/qmckl_distance_fh_func.f90 $(srcdir)/src/test_qmckl_distance.c $(srcdir)/src/test_qmckl_distance_f.f90 : org/qmckl_distance.org
$(tangle_verbose)$(srcdir)/tools/tangle.sh org/qmckl_distance.org
$(srcdir)/src/qmckl_memory.c $(srcdir)/src/qmckl_memory_func.h $(srcdir)/src/qmckl_memory_private_type.h $(srcdir)/src/qmckl_memory_private_func.h $(srcdir)/src/test_qmckl_memory.c : org/qmckl_memory.org
$(tangle_verbose)$(srcdir)/tools/tangle.sh org/qmckl_memory.org
$(srcdir)/src/qmckl_ao_f.o: $(srcdir)/src/qmckl_ao_f.f90 $(srcdir)/src/qmckl_ao_fh_func.f90 qmckl_f.o
$(srcdir)/src/qmckl_ao.o: $(srcdir)/src/qmckl_ao.c $(srcdir)/src/qmckl_ao_func.h $(srcdir)/src/qmckl_ao_private_type.h $(srcdir)/src/qmckl_ao_private_func.h $(qmckl_h)
$(srcdir)/src/qmckl_context_f.o: $(srcdir)/src/qmckl_context_fh_func.f90 $(srcdir)/src/qmckl_context_fh_type.f90 qmckl_f.o
$(srcdir)/src/qmckl_context.o: $(srcdir)/src/qmckl_context.c $(srcdir)/src/qmckl_context_func.h $(srcdir)/src/qmckl_context_type.h $(srcdir)/src/qmckl_context_private_type.h $(qmckl_h)
$(srcdir)/src/qmckl_distance_f.o: $(srcdir)/src/qmckl_distance_f.f90 $(srcdir)/src/qmckl_distance_fh_func.f90 qmckl_f.o
$(srcdir)/src/qmckl_distance.o: $(srcdir)/src/qmckl_distance_func.h $(qmckl_h)
$(srcdir)/src/qmckl_electron_f.o: $(srcdir)/src/qmckl_electron_f.f90 qmckl_f.o
$(srcdir)/src/qmckl_electron.o: $(srcdir)/src/qmckl_electron.c $(srcdir)/src/qmckl_electron_func.h $(srcdir)/src/qmckl_electron_private_type.h $(srcdir)/src/qmckl_electron_private_func.h $(qmckl_h)
$(srcdir)/src/qmckl_error_f.o: $(srcdir)/src/qmckl_error_fh_func.f90 $(srcdir)/src/qmckl_error_fh_type.f90 qmckl_f.o
$(srcdir)/src/qmckl_error.o: $(srcdir)/src/qmckl_error.c $(srcdir)/src/qmckl_error_func.h $(srcdir)/src/qmckl_error_type.h $(srcdir)/src/qmckl_error_private_type.h $(qmckl_h)
$(srcdir)/src/qmckl_memory.o: $(srcdir)/src/qmckl_memory.c $(srcdir)/src/qmckl_memory_func.h $(srcdir)/src/qmckl_memory_private_type.h $(srcdir)/src/qmckl_memory_private_func.h $(qmckl_h)
$(srcdir)/src/qmckl_numprec_f.o: $(srcdir)/src/qmckl_numprec_fh_func.f90 qmckl_f.o
$(srcdir)/src/qmckl_numprec.o: $(srcdir)/src/qmckl_numprec.c $(srcdir)/src/qmckl_numprec_func.h $(srcdir)/src/qmckl_numprec_type.h $(srcdir)/src/qmckl_numprec_private_type.h $(qmckl_h)
$(srcdir)/src/test_qmckl_ao_f.o: $(srcdir)/src/test_qmckl_ao_f.f90 $(srcdir)/src/qmckl_ao_f.o qmckl_f.o
$(srcdir)/src/test_qmckl_ao.o: $(srcdir)/src/test_qmckl_ao.c $(srcdir)/src/qmckl_ao.o $(qmckl_h)
$(srcdir)/src/test_qmckl_context.o: $(srcdir)/src/test_qmckl_context.c $(srcdir)/src/qmckl_context.o $(qmckl_h)
$(srcdir)/src/test_qmckl_distance_f.o: $(srcdir)/src/test_qmckl_distance_f.f90 $(srcdir)/src/qmckl_distance_f.o qmckl_f.o
$(srcdir)/src/test_qmckl_distance.o: $(srcdir)/src/test_qmckl_distance.c $(srcdir)/src/qmckl_distance.o $(qmckl_h)
$(srcdir)/src/test_qmckl_electron.o: $(srcdir)/src/test_qmckl_electron.c $(srcdir)/src/qmckl_electron.o $(qmckl_h)
$(srcdir)/src/test_qmckl_error.o: $(srcdir)/src/test_qmckl_error.c $(srcdir)/src/qmckl_error.o $(qmckl_h)
$(srcdir)/src/test_qmckl_memory.o: $(srcdir)/src/test_qmckl_memory.c $(srcdir)/src/qmckl_memory.o $(qmckl_h)
$(srcdir)/src/test_qmckl_numprec.o: $(srcdir)/src/test_qmckl_numprec.c $(srcdir)/src/qmckl_numprec.o $(qmckl_h)
$(srcdir)/generated.mk: $(ORG_FILES)
$(srcdir)/tools/build_makefile.sh
$(qmckl_h): $(H_FUNC_FILES) $(H_TYPE_FILES)
$(cat_h_verbose)$(srcdir)/tools/build_qmckl_h.sh
$(qmckl_f): $(FH_FUNC_FILES) $(FH_TYPE_FILES)
$(cat_h_verbose)$(srcdir)/tools/build_qmckl_f.sh
$(srcdir)/src/qmckl_f.f90: $(qmckl_f)
cp $(qmckl_f) $(srcdir)/src/qmckl_f.f90
#lib_LTLIBRARIES = $(top_srcdir)/src/libqmckl.la
#
#$(top_srcdir)/src/libqmckl.la;
# $(MAKE) -C src libqmckl.la
#
rpms srcrpm:
for dir in $(SUBDIRS); do \
(cd $$dir && $(MAKE) $(AM_MAKEFLAGS) $@) || exit 1; \
@ -930,9 +1106,6 @@ rpms srcrpm:
.PHONY: rpms srcrpm
README: README.md
COPYING: LICENSE
# Tell versions [3.59,3.63) of GNU make to not export all variables.
# Otherwise a system limit (for SysV at least) may be exceeded.
.NOEXPORT:

1
README Symbolic link
View File

@ -0,0 +1 @@
README.md

2
README.md
View File

@ -31,7 +31,7 @@ in org-mode files and produce the source code and the documentation from these f
```
autoreconf
./configure --enable-maintainer-mode --enable-debug
QMCKL_DEVEL=1 ./configure --enable-debug
make
make check
```

70
configure.ac
View File

@ -41,7 +41,7 @@ AC_INIT([QMCkl],[0.1.1],
AM_INIT_AUTOMAKE([color-tests parallel-tests silent-rules 1.11])
AM_MAINTAINER_MODE()
LT_INIT
AC_CONFIG_SRCDIR([src/README.org])
AC_CONFIG_SRCDIR([Makefile.in])
AC_CONFIG_HEADERS([include/config.h])
AC_CONFIG_MACRO_DIR([m4])
#AM_MAINTAINER_MODE
@ -148,29 +148,12 @@ if test "$ok" = "yes"; then
ARGS="${ARGS} efence"
fi
AC_ARG_WITH(munit, [AC_HELP_STRING([--without-munit],[use munit for testing])], ok=yes, ok=no)
if test "$ok" = "no"; then
AC_CHECK_FILE([munit/munit.h], [],
AC_MSG_ERROR([
-------------------------------------------------
Error: Git submodule for munit is not downloaded.
$ git submodule update --init
-------------------------------------------------
]) )
else
ARGS="${ARGS} munit"
AC_DEFINE(HAVE_MUNIT,1,[Define when using munit])
fi
# Checks for header files.
## qmckl
AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h])
## munit
AC_CHECK_HEADERS([fcntl.h langinfo.h limits.h locale.h mach/mach.h sys/time.h])
# Checks for typedefs, structures, and compiler characteristics.
## qmckl
@ -181,10 +164,6 @@ AC_TYPE_SIZE_T
AC_TYPE_UINT32_T
AC_TYPE_UINT64_T
## munit
AC_TYPE_PID_T
AC_C_INLINE
AC_TYPE_SSIZE_T
# Checks for library functions.
@ -192,16 +171,13 @@ AC_TYPE_SSIZE_T
AC_FUNC_MALLOC
AC_CHECK_FUNCS([memset strerror])
## munit
AC_FUNC_REALLOC
AC_FUNC_STRERROR_R
AC_FUNC_FORK
AC_CHECK_FUNCS([clock_gettime dup2 gettimeofday nl_langinfo setlocale strcasecmp strtoul])
# Development mode
AM_CONDITIONAL([QMCKL_DEVEL],[test "x$QMCKL_DEVEL" != x])
if test "x${MAINT}" = "x${MAINTAINER_MODE_TRUE}"; then
if test "x${QMCKL_DEVEL}" != "x"; then
AC_PROG_AWK
cd src && ../tools/create_makefile.sh && cd ..
${srcdir}/tools/build_makefile.sh
AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
if test x${EMACS} == xno ; then
@ -216,17 +192,31 @@ if test "x${MAINT}" = "x${MAINTAINER_MODE_TRUE}"; then
if test x${HAS_CPPCHECK} != xno ; then
HAS_CPPCHECK=1
fi
fi
AC_SUBST([ORG_FILES])
AC_SUBST([C_FILES])
AC_SUBST([F_FILES])
AC_SUBST([FH_FUNC_FILES])
AC_SUBST([FH_TYPE_FILES])
AC_SUBST([H_FUNC_FILES])
AC_SUBST([H_TYPE_FILES])
AC_SUBST([H_PRIVATE_FUNC_FILES])
AC_SUBST([H_PRIVATE_TYPE_FILES])
## munit
AC_ARG_WITH(munit, [AC_HELP_STRING([--without-munit],[use munit for testing])], ok=yes, ok=no)
if test "$ok" = "no"; then
AC_CHECK_FILE([munit/munit.h], [],
AC_MSG_ERROR([
-------------------------------------------------
Error: Git submodule for munit is not downloaded.
$ git submodule update --init
-------------------------------------------------
]) )
else
ARGS="${ARGS} munit"
AC_DEFINE(HAVE_MUNIT,1,[Define when using munit])
fi
AC_CHECK_HEADERS([fcntl.h langinfo.h limits.h locale.h mach/mach.h sys/time.h])
AC_TYPE_PID_T
AC_C_INLINE
AC_TYPE_SSIZE_T
AC_FUNC_REALLOC
AC_FUNC_STRERROR_R
AC_FUNC_FORK
AC_CHECK_FUNCS([clock_gettime dup2 gettimeofday nl_langinfo setlocale strcasecmp strtoul])
fi
#PKG-CONFIG
#mkl-dynamic-lp64-seq
@ -238,7 +228,7 @@ AC_SUBST([PKG_CFLAGS])
AC_CONFIG_FILES([Makefile
qmckl.pc
src/Makefile])
])
AC_OUTPUT

168
configure.ac.dist.in
View File

@ -1,168 +0,0 @@
# -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.
#
# configure script for maintainers.
AC_PREREQ([2.69])
AC_INIT([@PACKAGE_NAME@],[@PACKAGE_VERSION@],
[@PACKAGE_BUGREPORT@], [],
[@PACKAGE_URL@])
AC_CONFIG_SRCDIR([src/qmckl_ao.c])
AC_CONFIG_HEADERS([include/config.h])
AC_CONFIG_MACRO_DIR([m4])
#AM_MAINTAINER_MODE
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])
#AM_INIT_AUTOMAKE([foreign color-tests parallel-tests silent-rules 1.11])
#AM_SILENT_RULES(yes)
#AC_SUBST(SHARED_VERSION_INFO)
#AM_ENABLE_SHARED(no) dnl shared libs cause too many headaches to be default
#AC_PROG_LIBTOOL
AC_LANG(C)
# Checks for programs.
AC_PROG_CC
AC_PROG_CC_C_O
AC_PROG_FC
AC_PROG_FC_C_O
AC_FC_SRCEXT([f90])
AC_FC_FREEFORM
AC_PROG_INSTALL
AC_PROG_LN_S
AC_PROG_CC_C99
PKG_PROG_PKG_CONFIG()
PKG_LIBS=""
PKG_CFLAGS=""
# fPIC option
AC_MSG_CHECKING(whether fPIC compiler option is accepted in C)
SAVED_CFLAGS="${CFLAGS}"
CFLAGS="${CFLAGS} -fPIC -Werror"
AC_COMPILE_IFELSE([AC_LANG_PROGRAM([], [return 0;])],
[AC_MSG_RESULT(yes)
CFLAGS="${SAVED_CFLAGS} -fPIC"],
[AC_MSG_RESULT(no)
CFLAGS="${SAVED_CFLAGS}"])
AC_MSG_CHECKING(whether fPIC compiler option is accepted in Fortran)
FCFLAGS="${FCFLAGS} -fPIC -Werror"
SAVED_FCFLAGS="${FCFLAGS}"
AC_LANG_PUSH(Fortran)
AC_COMPILE_IFELSE([AC_LANG_PROGRAM([], [])],
[AC_MSG_RESULT(yes)
FCFLAGS="${SAVED_FCFLAGS} -fPIC"],
[AC_MSG_RESULT(no)
FCFLAGS="${SAVED_FCFLAGS}"])
AC_LANG_POP()
# Checks for libraries.
AC_FC_LIBRARY_LDFLAGS
AC_CHECK_LIB([m], [sqrt])
AC_CHECK_HEADERS([assert.h errno.h malloc.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, [AC_HELP_STRING([--with-openmp],[enable OpenMP])], with_omp=$withval, with_omp=no)
if test "x$with_omp" = xyes; then
AC_DEFINE([USE_OPENMP], [1], [Define to use OpenMP threading.])
AX_OPENMP([],
[AC_MSG_ERROR([Could not find OpenMP flags; configure with --without-openmp])])
CFLAGS="${CFLAGS} ${OPENMP_CFLAGS}"
fi
## BLAS
AX_BLAS([], [AC_MSG_ERROR([BLAS was not found.])])
## LAPACK
AX_LAPACK([], [AC_MSG_ERROR([LAPACK was not found.])])
# Checks for header files.
## qmckl
AC_CHECK_HEADERS([inttypes.h malloc.h stdint.h stdlib.h string.h strings.h unistd.h])
# Checks for typedefs, structures, and compiler characteristics.
## qmckl
AC_CHECK_HEADER_STDBOOL
AC_TYPE_INT32_T
AC_TYPE_INT64_T
AC_TYPE_SIZE_T
AC_TYPE_UINT32_T
AC_TYPE_UINT64_T
# Checks for library functions.
## qmckl
AC_FUNC_MALLOC
AC_CHECK_FUNCS([memset strerror])
# Options.
AC_ARG_ENABLE(debug, [AC_HELP_STRING([--enable-debug],[compile for debugging])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
if test "$GCC" = "yes"; then
CFLAGS="$CFLAGS \
-Wall -W -Wbad-function-cast -Wcast-qual \
-Wpointer-arith -Wcast-align -Wpedantic -Wextra -fmax-errors=3"
fi
if test "$GFC" = "yes"; then
FCFLAGS="$FCFLAGS \
-fcheck=all -Waliasing -Wampersand -Wconversion \
-Wsurprising -ffpe-trap=zero,overflow,underflow \
-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan"
fi
if test "$FC" = "ifort"; then
FCFLAGS="$FCFLAGS \
-traceback -check all -debug all -fpe-all=0 -implicitnone"
fi
AC_DEFINE(DEBUG,1,[Define to turn on debugging checks])
fi
AC_ARG_ENABLE(debug-malloc, [AC_HELP_STRING([--enable-debug-malloc],[use debug malloc/free])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
AC_DEFINE(DEBUG_MALLOC,1,[Define to use debugging malloc/free])
fi
AC_ARG_ENABLE(prof, [AC_HELP_STRING([--enable-prof],[compile for profiling])], ok=$enableval, ok=no)
if test "$ok" = "yes"; then
CFLAGS="${CFLAGS} -pg"
AC_DEFINE(ENABLE_PROF,1,[Define when using the profiler tool])
fi
AC_ARG_WITH(efence, [AC_HELP_STRING([--with-efence],[use ElectricFence library])], ok=$withval, ok=no)
if test "$ok" = "yes"; then
AC_CHECK_LIB(efence, malloc)
fi
#PKG-CONFIG
#mkl-dynamic-lp64-seq
LIBS="${LAPACK_LIBS} ${BLAS_LIBS} ${LIBS}"
PKG_LIBS="${PKG_LIBS} ${LIBS}"
AC_SUBST([PKG_LIBS])
AC_SUBST([PKG_CFLAGS])
AC_CONFIG_FILES([Makefile
qmckl.pc
src/Makefile
])
AC_OUTPUT

4
include/.gitignore vendored
View File

@ -1 +1,3 @@
config.h.in
config.h
qmckl.h

2
lib/.gitignore vendored
View File

@ -1,2 +0,0 @@
libqmckl.so
libqmckl.a

0
src/README.org → org/README.org
View File

0
src/hpc/qmckl_tile.org → org/hpc/qmckl_tile.org
View File

0
src/qmckl.org → org/qmckl.org
View File

0
src/qmckl_ao.org → org/qmckl_ao.org
View File

0
src/qmckl_context.org → org/qmckl_context.org
View File

0
src/qmckl_distance.org → org/qmckl_distance.org
View File

0
src/qmckl_electron.org → org/qmckl_electron.org
View File

0
src/qmckl_error.org → org/qmckl_error.org
View File

0
src/qmckl_memory.org → org/qmckl_memory.org
View File

0
src/qmckl_numprec.org → org/qmckl_numprec.org
View File

0
src/table_of_contents → org/table_of_contents
View File

0
src/test_qmckl.org → org/test_qmckl.org
View File

972
share/doc/qmckl/html/qmckl.css
View File

@ -1,972 +0,0 @@
/* Adapted from worg.css */
@import url(https://fonts.googleapis.com/css?family=Droid+Sans|Droid+Sans+Mono|Droid+Serif);
@media all
{
html {
margin: 0;
font: .9em/1.6em "Droid Serif", Cambria, Georgia, "DejaVu Serif", serif;
background-image: url(/img/org-mode-unicorn-logo-worg.png);
background-attachment: fixed;
background-position: right bottom;
background-repeat: no-repeat;
background-color: white;
}
body {
font-size: 14pt;
line-height: 22pt;
color: black;
margin-top: 0;
}
body #content {
padding-top: 2em;
margin: auto;
max-width: 70%;
background-color: white;
}
body #support {
position: fixed;
top:0;
display:block;
font-size: 12pt;
right:0pt;
text-align: right;
padding: .2em 1em;
background: #EEE;
border-radius: 10px;
}
body .title {
margin-left: 0px;
font-size: 22pt;
}
#org-div-home-and-up{
position: fixed;
right: 0.5em;
margin-top: 70px;
font-family:sans-serif;
}
/* TOC inspired by http://jashkenas.github.com/coffee-script */
#table-of-contents {
margin-top: 105px;
font-size: 10pt;
font-family:sans-serif;
position: fixed;
right: 0em;
top: 0em;
background: white;
line-height: 12pt;
text-align: right;
box-shadow: 0 0 1em #777777;
-webkit-box-shadow: 0 0 1em #777777;
-moz-box-shadow: 0 0 1em #777777;
-webkit-border-bottom-left-radius: 5px;
-moz-border-radius-bottomleft: 5px;
/* ensure doesn't flow off the screen when expanded */
max-height: 80%;
overflow: auto; }
#table-of-contents h2 {
font-size: 13pt;
max-width: 9em;
border: 0;
font-weight: normal;
padding-left: 0.5em;
padding-right: 0.5em;
padding-top: 0.05em;
padding-bottom: 0.05em; }
#table-of-contents #text-table-of-contents {
display: none;
text-align: left; }
#table-of-contents:hover #text-table-of-contents {
display: block;
padding: 0.5em;
margin-top: -1.5em; }
#license {
background-color: #eeeeee;
}
h1 {
font-size:2.1em;
padding:0 0 30px 0;
margin-top: 10px;
margin-bottom: 10px;
margin-right: 7%;
color: grey;
}
h2 {
font-family:sans-serif;
font-size:1.45em;
padding:10px 0 10px 0;
color: black;
border-bottom: 1px solid #ddd;
padding-top: 1.5em;
}
.outline-text-2 {
margin-left: 0.1em
}
h3 {
font-family:sans-serif;
font-size:1.3em;
color: grey;
margin-left: 0.6em;
padding-top: 1.5em;
}
/* #A34D32;*/
.outline-text-3 {
margin-left: 0.9em;
}
h4 {
font-family:sans-serif;
font-size:1.2em;
margin-left: 1.2em;
color: #A5573E;
padding-top: 1.5em;
}
.outline-text-4 {
margin-left: 1.45em;
}
a {text-decoration: none; font-weight: 400;}
a:visited {text-decoration: none; font-weight: 400;}
a:hover {text-decoration: underline;}
.todo {
color: #CA0000;
}
.done {
color: #006666;
}
.timestamp-kwd {
color: #444;
}
.tag {
background-color: #ffff;
color: #ffff;
}
li {
margin: .4em;
}
table {
border: 1;
border-color: grey;
}
thead {
border: 0;
}
tbody {
border: 0;
}
tr {
border: 0;
}
td {
border-left: 0px;
border-right: 0px;
border-top: 0px;
border-bottom: 0px;
}
th {
border-left: 0px;
border-right: 0px;
border-top: 1px solid grey;
border-bottom: 1px solid grey;
}
code {
font-size: 100%;
color: black;
padding: 0px 0.2em;
}
img {
border: 0;
}
.share img {
opacity: .4;
-moz-opacity: .4;
filter: alpha(opacity=40);
}
.share img:hover {
opacity: 1;
-moz-opacity: 1;
filter: alpha(opacity=100);
}
pre {
font-family: Droid Sans Mono, Monaco, Consolas, "Lucida Console", monospace;
color: black;
font-size: 90%;
padding: 0.5em;
overflow: auto;
border: none;
background-color: #f2f2f2;
border-radius: 5px;
}
.org-info-box {
clear:both;
margin-left:auto;
margin-right:auto;
padding:0.7em;
}
.org-info-box img {
float:left;
margin:0em 0.5em 0em 0em;
}
.org-info-box p {
margin:0em;
padding:0em;
}
.builtin {
/* font-lock-builtin-face */
color: #f4a460;
}
.comment {
/* font-lock-comment-face */
color: #737373;
}
.comment-delimiter {
/* font-lock-comment-delimiter-face */
color: #666666;
}
.constant {
/* font-lock-constant-face */
color: #db7093;
}
.doc {
/* font-lock-doc-face */
color: #b3b3b3;
}
.function-name {
/* font-lock-function-name-face */
color: #5f9ea0;
}
.headline {
/* headline-face */
color: #ffffff;
background-color: #000000;
font-weight: bold;
}
.keyword {
/* font-lock-keyword-face */
color: #4682b4;
}
.negation-char {
}
.regexp-grouping-backslash {
}
.regexp-grouping-construct {
}
.string {
/* font-lock-string-face */
color: #ccc79a;
}
.todo-comment {
/* todo-comment-face */
color: #ffffff;
background-color: #000000;
font-weight: bold;
}
.variable-name {
/* font-lock-variable-name-face */
color: #ff6a6a;
}
.warning {
/* font-lock-warning-face */
color: #ffffff;
background-color: #cd5c5c;
font-weight: bold;
}
.important {
/* font-lock-warning-face */
background-color: #e3e3f7;
}
.exercise {
/* font-lock-warning-face */
background-color: #e3f7e3;
}
.note {
/* font-lock-warning-face */
background-color: #f7f7d9;
}
pre.a {
color: inherit;
background-color: inherit;
font: inherit;
text-decoration: inherit;
}
pre.a:hover {
text-decoration: underline;
}
/* Styles for org-info.js */
.org-info-js_info-navigation
{
border-style:none;
}
#org-info-js_console-label
{
font-size:10px;
font-weight:bold;
white-space:nowrap;
}
.org-info-js_search-highlight
{
background-color:#ffff00;
color:#000000;
font-weight:bold;
}
#org-info-js-window
{
border-bottom:1px solid black;
padding-bottom:10px;
margin-bottom:10px;
}
.org-info-search-highlight
{
background-color:#adefef; /* same color as emacs default */
color:#000000;
font-weight:bold;
}
.org-bbdb-company {
/* bbdb-company */
font-style: italic;
}
.org-bbdb-field-name {
}
.org-bbdb-field-value {
}
.org-bbdb-name {
/* bbdb-name */
text-decoration: underline;
}
.org-bold {
/* bold */
font-weight: bold;
}
.org-bold-italic {
/* bold-italic */
font-weight: bold;
font-style: italic;
}
.org-border {
/* border */
background-color: #000000;
}
.org-buffer-menu-buffer {
/* buffer-menu-buffer */
font-weight: bold;
}
.org-builtin {
/* font-lock-builtin-face */
color: #da70d6;
}
.org-button {
/* button */
text-decoration: underline;
}
.org-c-nonbreakable-space {
/* c-nonbreakable-space-face */
background-color: #ff0000;
font-weight: bold;
}
.org-calendar-today {
/* calendar-today */
text-decoration: underline;
}
.org-comment {
/* font-lock-comment-face */
color: #b22222;
}
.org-comment-delimiter {
/* font-lock-comment-delimiter-face */
color: #b22222;
}
.org-constant {
/* font-lock-constant-face */
color: #5f9ea0;
}
.org-cursor {
/* cursor */
background-color: #000000;
}
.org-default {
/* default */
color: #000000;
background-color: #ffffff;
}
.org-diary {
/* diary */
color: #ff0000;
}
.org-doc {
/* font-lock-doc-face */
color: #bc8f8f;
}
.org-escape-glyph {
/* escape-glyph */
color: #a52a2a;
}
.org-file-name-shadow {
/* file-name-shadow */
color: #7f7f7f;
}
.org-fixed-pitch {
}
.org-fringe {
/* fringe */
background-color: #f2f2f2;
}
.org-function-name {
/* font-lock-function-name-face */
color: #0000ff;
}
.org-header-line {
/* header-line */
color: #333333;
background-color: #e5e5e5;
}
.org-help-argument-name {
/* help-argument-name */
font-style: italic;
}
.org-highlight {
/* highlight */
background-color: #b4eeb4;
}
.org-holiday {
/* holiday */
background-color: #ffc0cb;
}
.org-info-header-node {
/* info-header-node */
color: #a52a2a;
font-weight: bold;
font-style: italic;
}
.org-info-header-xref {
/* info-header-xref */
color: #0000ff;
text-decoration: underline;
}
.org-info-menu-header {
/* info-menu-header */
font-weight: bold;
}
.org-info-menu-star {
/* info-menu-star */
color: #ff0000;
}
.org-info-node {
/* info-node */
color: #a52a2a;
font-weight: bold;
font-style: italic;
}
.org-info-title-1 {
/* info-title-1 */
font-size: 172%;
font-weight: bold;
}
.org-info-title-2 {
/* info-title-2 */
font-size: 144%;
font-weight: bold;
}
.org-info-title-3 {
/* info-title-3 */
font-size: 120%;
font-weight: bold;
}
.org-info-title-4 {
/* info-title-4 */
font-weight: bold;
}
.org-info-xref {
/* info-xref */
color: #0000ff;
text-decoration: underline;
}
.org-isearch {
/* isearch */
color: #b0e2ff;
background-color: #cd00cd;
}
.org-italic {
/* italic */
font-style: italic;
}
.org-keyword {
/* font-lock-keyword-face */
color: #a020f0;
}
.org-lazy-highlight {
/* lazy-highlight */
background-color: #afeeee;
}
.org-link {
/* link */
color: #0000ff;
text-decoration: underline;
}
.org-link-visited {
/* link-visited */
color: #8b008b;
text-decoration: underline;
}
.org-match {
/* match */
background-color: #ffff00;
}
.org-menu {
}
.org-message-cited-text {
/* message-cited-text */
color: #ff0000;
}
.org-message-header-cc {
/* message-header-cc */
color: #191970;
}
.org-message-header-name {
/* message-header-name */
color: #6495ed;
}
.org-message-header-newsgroups {
/* message-header-newsgroups */
color: #00008b;
font-weight: bold;
font-style: italic;
}
.org-message-header-other {
/* message-header-other */
color: #4682b4;
}
.org-message-header-subject {
/* message-header-subject */
color: #000080;
font-weight: bold;
}
.org-message-header-to {
/* message-header-to */
color: #191970;
font-weight: bold;
}
.org-message-header-xheader {
/* message-header-xheader */
color: #0000ff;
}
.org-message-mml {
/* message-mml */
color: #228b22;
}
.org-message-separator {
/* message-separator */
color: #a52a2a;
}
.org-minibuffer-prompt {
/* minibuffer-prompt */
color: #0000cd;
}
.org-mm-uu-extract {
/* mm-uu-extract */
color: #006400;
background-color: #ffffe0;
}
.org-mode-line {
/* mode-line */
color: #000000;
background-color: #bfbfbf;
}
.org-mode-line-buffer-id {
/* mode-line-buffer-id */
font-weight: bold;
}
.org-mode-line-highlight {
}
.org-mode-line-inactive {
/* mode-line-inactive */
color: #333333;
background-color: #e5e5e5;
}
.org-mouse {
/* mouse */
background-color: #000000;
}
.org-negation-char {
}
.org-next-error {
/* next-error */
background-color: #eedc82;
}
.org-nobreak-space {
/* nobreak-space */
color: #a52a2a;
text-decoration: underline;
}
.org-org-agenda-date {
/* org-agenda-date */
color: #0000ff;
}
.org-org-agenda-date-weekend {
/* org-agenda-date-weekend */
color: #0000ff;
font-weight: bold;
}
.org-org-agenda-restriction-lock {
/* org-agenda-restriction-lock */
background-color: #ffff00;
}
.org-org-agenda-structure {
/* org-agenda-structure */
color: #0000ff;
}
.org-org-archived {
/* org-archived */
color: #7f7f7f;
}
.org-org-code {
/* org-code */
color: #7f7f7f;
}
.org-org-column {
/* org-column */
background-color: #e5e5e5;
}
.org-org-column-title {
/* org-column-title */
background-color: #e5e5e5;
font-weight: bold;
text-decoration: underline;
}
.org-org-date {
/* org-date */
color: #a020f0;
text-decoration: underline;
}
.org-org-done {
/* org-done */
color: #228b22;
font-weight: bold;
}
.org-org-drawer {
/* org-drawer */
color: #0000ff;
}
.org-org-ellipsis {
/* org-ellipsis */
color: #b8860b;
text-decoration: underline;
}
.org-org-formula {
/* org-formula */
color: #b22222;
}
.org-org-headline-done {
/* org-headline-done */
color: #bc8f8f;
}
.org-org-hide {
/* org-hide */
color: #e5e5e5;
}
.org-org-latex-and-export-specials {
/* org-latex-and-export-specials */
color: #8b4513;
}
.org-org-level-1 {
/* org-level-1 */
color: #0000ff;
}
.org-org-level-2 {
/* org-level-2 */
color: #b8860b;
}
.org-org-level-3 {
/* org-level-3 */
color: #a020f0;
}
.org-org-level-4 {
/* org-level-4 */
color: #b22222;
}
.org-org-level-5 {
/* org-level-5 */
color: #228b22;
}
.org-org-level-6 {
/* org-level-6 */
color: #5f9ea0;
}
.org-org-level-7 {
/* org-level-7 */
color: #da70d6;
}
.org-org-level-8 {
/* org-level-8 */
color: #bc8f8f;
}
.org-org-link {
/* org-link */
color: #a020f0;
text-decoration: underline;
}
.org-org-property-value {
}
.org-org-scheduled-previously {
/* org-scheduled-previously */
color: #b22222;
}
.org-org-scheduled-today {
/* org-scheduled-today */
color: #006400;
}
.org-org-sexp-date {
/* org-sexp-date */
color: #a020f0;
}
.org-org-special-keyword {
/* org-special-keyword */
color: #bc8f8f;
}
.org-org-table {
/* org-table */
color: #0000ff;
}
.org-org-tag {
/* org-tag */
font-weight: bold;
}
.org-org-target {
/* org-target */
text-decoration: underline;
}
.org-org-time-grid {
/* org-time-grid */
color: #b8860b;
}
.org-org-todo {
/* org-todo */
color: #ff0000;
}
.org-org-upcoming-deadline {
/* org-upcoming-deadline */
color: #b22222;
}
.org-org-verbatim {
/* org-verbatim */
color: #7f7f7f;
text-decoration: underline;
}
.org-org-warning {
/* org-warning */
color: #ff0000;
font-weight: bold;
}
.org-outline-1 {
/* outline-1 */
color: #0000ff;
}
.org-outline-2 {
/* outline-2 */
color: #b8860b;
}
.org-outline-3 {
/* outline-3 */
color: #a020f0;
}
.org-outline-4 {
/* outline-4 */
color: #b22222;
}
.org-outline-5 {
/* outline-5 */
color: #228b22;
}
.org-outline-6 {
/* outline-6 */
color: #5f9ea0;
}
.org-outline-7 {
/* outline-7 */
color: #da70d6;
}
.org-outline-8 {
/* outline-8 */
color: #bc8f8f;
}
.outline-text-1, .outline-text-2, .outline-text-3, .outline-text-4, .outline-text-5, .outline-text-6 {
/* Add more spacing between section. Padding, so that folding with org-info.js works as expected. */
}
.org-preprocessor {
/* font-lock-preprocessor-face */
color: #da70d6;
}
.org-query-replace {
/* query-replace */
color: #b0e2ff;
background-color: #cd00cd;
}
.org-regexp-grouping-backslash {
/* font-lock-regexp-grouping-backslash */
font-weight: bold;
}
.org-regexp-grouping-construct {
/* font-lock-regexp-grouping-construct */
font-weight: bold;
}
.org-region {
/* region */
background-color: #eedc82;
}
.org-rmail-highlight {
}
.org-scroll-bar {
/* scroll-bar */
background-color: #bfbfbf;
}
.org-secondary-selection {
/* secondary-selection */
background-color: #ffff00;
}
.org-shadow {
/* shadow */
color: #7f7f7f;
}
.org-show-paren-match {
/* show-paren-match */
background-color: #40e0d0;
}
.org-show-paren-mismatch {
/* show-paren-mismatch */
color: #ffffff;
background-color: #a020f0;
}
.org-string {
/* font-lock-string-face */
color: #bc8f8f;
}
.org-texinfo-heading {
/* texinfo-heading */
color: #0000ff;
}
.org-tool-bar {
/* tool-bar */
color: #000000;
background-color: #bfbfbf;
}
.org-tooltip {
/* tooltip */
color: #000000;
background-color: #ffffe0;
}
.org-trailing-whitespace {
/* trailing-whitespace */
background-color: #ff0000;
}
.org-type {
/* font-lock-type-face */
color: #228b22;
}
.org-underline {
/* underline */
text-decoration: underline;
}
.org-variable-name {
/* font-lock-variable-name-face */
color: #b8860b;
}
.org-variable-pitch {
}
.org-vertical-border {
}
.org-warning {
/* font-lock-warning-face */
color: #ff0000;
font-weight: bold;
}
.rss_box {}
.rss_title, rss_title a {}
.rss_items {}
.rss_item a:link, .rss_item a:visited, .rss_item a:active {}
.rss_item a:hover {}
.rss_date {}
pre.src {
position: static;
overflow: visible;
padding-top: 1.2em;
}
label.org-src-name {
font-size: 80%;
font-style: italic;
}
#show_source {margin: 0; padding: 0;}
#postamble {
font-size: 75%;
min-width: 700px;
max-width: 80%;
line-height: 14pt;
margin-left: 20px;
margin-top: 10px;
padding: .2em;
background-color: #ffffff;
z-index: -1000;
}
} /* END OF @media all */
@media screen
{
#table-of-contents {
position: fixed;
margin-top: 105px;
float: right;
border: 1px solid #red;
max-width: 50%;
overflow: auto;
}
} /* END OF @media screen */

31
src/Makefile.am
View File

@ -8,14 +8,15 @@ libqmckl_la_version = $(VERSION_MAJOR).$(VERSION_MINOR)
#lib_LTLIBRARIES = libqmckl-$(libqmckl_so_version).la
lib_LTLIBRARIES = libqmckl.la
include generated.mk
qmckl_h = $(top_srcdir)/include/qmckl.h
qmckl_f = $(top_srcdir)/share/qmckl/fortran/qmckl_f.f90
BUILT_SOURCES= $(C_FILES) $(F_FILES) $(FH_FUNC_FILES) $(FH_TYPE_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES)
libqmckl_la_CPPFLAGS = -I$(srcdir) -I$(top_srcdir)/include
libqmckl_la_SOURCES = $(C_FILES) $(F_FILES) $(qmckl_h) $(qmckl_f) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES)
libqmckl_la_SOURCES = qmckl.h qmckl_f.f90 $(C_FILES) $(F_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES) $(H_PRIVATE_FUNC_FILES) $(H_PRIVATE_TYPE_FILES)
dist_src_DATA = $(ORG_FILES)
tangle_verbose = $(tangle_verbose_@AM_V@)
tangle_verbose_ = $(tangle_verbose_@AM_DEFAULT_V@)
@ -25,32 +26,24 @@ cat_h_verbose = $(cat_h_verbose_@AM_V@)
cat_h_verbose_ = $(cat_h_verbose_@AM_DEFAULT_V@)
cat_h_verbose_0 = @echo " HEADER $@";
SUFFIXES = .f90 .h .org .c _f.f90 _func.h _type.h _private_func.h _private_type.h
export top_srcdir
if QMCKL_DEVEL
Makefile.in: generated.mk
generated.mk: $(ORG_FILES)
$(top_srcdir)/tools/create_makefile.sh
cd $(top_srcdir) && ./tools/create_makefile.sh
qmckl.h qmckl_f.f90: $(FH_FUNC_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES)
$(cat_h_verbose)$(top_srcdir)/tools/build_qmckl_h.sh
SUFFIXES = .f90 .h .org .c
.f90: $(ORG_FILES)
$(tangle_verbose)$(top_srcdir)/tools/tangle.sh $(ORG_FILES)
.h: $(ORG_FILES)
$(tangle_verbose)$(top_srcdir)/tools/tangle.sh $(ORG_FILES)
.org.c:
.org_private_func.h .org_private_type.h .org_type.h .org_func.h .org.h .org_f.f90 .org.c:
$(tangle_verbose)$(top_srcdir)/tools/tangle.sh $<
$(qmckl_f): qmckl_f.f90
mv qmckl_f.f90 $(qmckl_f)
$(qmckl_h): qmckl.h
mv qmckl.h $(qmckl_h)
.h .f90 _f.f90 _func.h _type.h _private_func.h _private_type.h .c: $(ORG_FILES)
CLEANFILES = $(BUILT_SOURCES) $(C_TEST_FILES) $(F_TEST_FILES) qmckl_f.f90 qmckl.h
endif

987
src/Makefile.in
View File

@ -1,987 +0,0 @@
# Makefile.in generated by automake 1.16.1 from Makefile.am.
# @configure_input@
# Copyright (C) 1994-2018 Free Software Foundation, Inc.
# This Makefile.in is free software; the Free Software Foundation
# gives unlimited permission to copy and/or distribute it,
# with or without modifications, as long as this notice is preserved.
# This program is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY, to the extent permitted by law; without
# even the implied warranty of MERCHANTABILITY or FITNESS FOR A
# PARTICULAR PURPOSE.
@SET_MAKE@
VPATH = @srcdir@
am__is_gnu_make = { \
if test -z '$(MAKELEVEL)'; then \
false; \
elif test -n '$(MAKE_HOST)'; then \
true; \
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false; \
fi; \
}
am__make_running_with_option = \
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?) ;; \
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if $(am__is_gnu_make); then \
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*\\[\ \ ]*) \
bs=\\; \
sane_makeflags=`printf '%s\n' "$$MAKEFLAGS" \
| sed "s/$$bs$$bs[$$bs $$bs ]*//g"`;; \
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am__make_dryrun = (target_option=n; $(am__make_running_with_option))
am__make_keepgoing = (target_option=k; $(am__make_running_with_option))
pkgdatadir = $(datadir)/@PACKAGE@
pkgincludedir = $(includedir)/@PACKAGE@
pkglibdir = $(libdir)/@PACKAGE@
pkglibexecdir = $(libexecdir)/@PACKAGE@
am__cd = CDPATH="$${ZSH_VERSION+.}$(PATH_SEPARATOR)" && cd
install_sh_DATA = $(install_sh) -c -m 644
install_sh_PROGRAM = $(install_sh) -c
install_sh_SCRIPT = $(install_sh) -c
INSTALL_HEADER = $(INSTALL_DATA)
transform = $(program_transform_name)
NORMAL_INSTALL = :
PRE_INSTALL = :
POST_INSTALL = :
NORMAL_UNINSTALL = :
PRE_UNINSTALL = :
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host_triplet = @host@
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am__aclocal_m4_deps = $(top_srcdir)/m4/libtool.m4 \
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qmckl_ao.c: qmckl_ao.org qmckl_ao_func.h qmckl_ao_private_type.h qmckl_ao_private_func.h
qmckl_ao_f.f90: qmckl_ao.org qmckl_ao_fh_func.f90 qmckl_f.o
qmckl_ao_fh_func.f90: qmckl_ao.org
qmckl_ao_func.h: qmckl_ao.org
qmckl_ao_private_func.h: qmckl_ao.org
qmckl_ao_private_type.h: qmckl_ao.org
qmckl_context.c: qmckl_context.org qmckl_context_func.h qmckl_context_type.h qmckl_context_private_type.h
qmckl_context_f.f90: qmckl_context_fh_func.f90 qmckl_context_fh_type.f90 qmckl_f.o
qmckl_context_fh_func.f90: qmckl_context.org
qmckl_context_fh_type.f90: qmckl_context.org
qmckl_context_func.h: qmckl_context.org
qmckl_context_private_type.h: qmckl_context.org
qmckl_context_type.h: qmckl_context.org
qmckl_distance.c: qmckl_distance_func.h
qmckl_distance_f.f90: qmckl_distance.org qmckl_distance_fh_func.f90 qmckl_f.o
qmckl_distance_fh_func.f90: qmckl_distance.org
qmckl_distance_func.h: qmckl_distance.org
qmckl_electron.c: qmckl_electron.org qmckl_electron_func.h qmckl_electron_private_type.h qmckl_electron_private_func.h
qmckl_electron_f.f90: qmckl_electron.org qmckl_f.o
qmckl_electron_func.h: qmckl_electron.org
qmckl_electron_private_func.h: qmckl_electron.org
qmckl_electron_private_type.h: qmckl_electron.org
qmckl_error.c: qmckl_error.org qmckl_error_func.h qmckl_error_type.h qmckl_error_private_type.h
qmckl_error_f.f90: qmckl_error_fh_func.f90 qmckl_error_fh_type.f90 qmckl_f.o
qmckl_error_fh_func.f90: qmckl_error.org
qmckl_error_fh_type.f90: qmckl_error.org
qmckl_error_func.h: qmckl_error.org
qmckl_error_private_type.h: qmckl_error.org
qmckl_error_type.h: qmckl_error.org
qmckl_memory.c: qmckl_memory.org qmckl_memory_func.h qmckl_memory_private_type.h qmckl_memory_private_func.h
qmckl_memory_func.h: qmckl_memory.org
qmckl_memory_private_func.h: qmckl_memory.org
qmckl_memory_private_type.h: qmckl_memory.org
qmckl_numprec.c: qmckl_numprec.org qmckl_numprec_func.h qmckl_numprec_type.h qmckl_numprec_private_type.h
qmckl_numprec_f.f90: qmckl_numprec_fh_func.f90 qmckl_f.o
qmckl_numprec_fh_func.f90: qmckl_numprec.org
qmckl_numprec_func.h: qmckl_numprec.org
qmckl_numprec_private_type.h: qmckl_numprec.org
qmckl_numprec_type.h: qmckl_numprec.org
test_qmckl_ao.c: qmckl_ao.org qmckl_ao.org qmckl_ao_func.h qmckl_ao_private_type.h qmckl_ao_private_func.h
test_qmckl_ao_f.f90: qmckl_ao.org qmckl_f.o
test_qmckl_context.c: qmckl_context.org qmckl_context.org qmckl_context_func.h qmckl_context_type.h qmckl_context_private_type.h
test_qmckl_distance.c: qmckl_distance.org qmckl_distance_func.h
test_qmckl_distance_f.f90: qmckl_distance.org qmckl_f.o
test_qmckl_electron.c: qmckl_electron.org qmckl_electron.org qmckl_electron_func.h qmckl_electron_private_type.h qmckl_electron_private_func.h
test_qmckl_error.c: qmckl_error.org qmckl_error.org qmckl_error_func.h qmckl_error_type.h qmckl_error_private_type.h
test_qmckl_memory.c: qmckl_memory.org qmckl_memory.org qmckl_memory_func.h qmckl_memory_private_type.h qmckl_memory_private_func.h
test_qmckl_numprec.c: qmckl_numprec.org qmckl_numprec.org qmckl_numprec_func.h qmckl_numprec_type.h qmckl_numprec_private_type.h
export top_srcdir
Makefile.in: generated.mk
generated.mk: $(ORG_FILES)
$(top_srcdir)/tools/create_makefile.sh
qmckl.h qmckl_f.f90: $(FH_FUNC_FILES) $(H_FUNC_FILES) $(H_TYPE_FILES)
$(cat_h_verbose)$(top_srcdir)/tools/build_qmckl_h.sh
.f90: $(ORG_FILES)
$(tangle_verbose)$(top_srcdir)/tools/tangle.sh $(ORG_FILES)
.h: $(ORG_FILES)
$(tangle_verbose)$(top_srcdir)/tools/tangle.sh $(ORG_FILES)
.org.c:
$(tangle_verbose)$(top_srcdir)/tools/tangle.sh $<
$(qmckl_f): qmckl_f.f90
mv qmckl_f.f90 $(qmckl_f)
$(qmckl_h): qmckl.h
mv qmckl.h $(qmckl_h)
# Tell versions [3.59,3.63) of GNU make to not export all variables.
# Otherwise a system limit (for SysV at least) may be exceeded.
.NOEXPORT:

72
tools/build_doc.sh
View File

@ -1,45 +1,39 @@
#!/bin/bash
# Script to build the documentation
# Script to build the documentation.
set -e
if [[ -z ${srcdir} ]] ; then
echo "Error: srcdir environment variable is not defined"
exit 1
fi
readonly DOCS=${top_srcdir}/share/doc/qmckl/
readonly SRC=${top_srcdir}/src/
readonly DOCS=${srcdir}/share/doc/qmckl/
readonly ORG=${srcdir}/org/
readonly HTMLIZE=${DOCS}/html/htmlize.el
readonly CONFIG_DOC=${top_srcdir}/tools/config_doc.el
readonly CONFIG_TANGLE=${top_srcdir}/tools/config_tangle.el
readonly CONFIG_DOC=${srcdir}/tools/config_doc.el
readonly CONFIG_TANGLE=${srcdir}/tools/config_tangle.el
# Checks that all the defined global variables correspond to files.
function check_preconditions()
{
# Checks that all the defined global variables correspond to files.
if [[ -z ${top_srcdir} ]]
for dir in ${DOCS}/html ${DOCS}/text ${ORG}
do
if [[ ! -d ${dir} ]]
then
print "top_srcdir is not defined"
exit 1
print "${dir} not found"
exit 2
fi
done
for dir in ${DOCS}/html ${DOCS}/text ${SRC}
do
if [[ ! -d ${dir} ]]
then
print "${dir} not found"
exit 2
fi
done
for file in ${CONFIG_DOC} ${CONFIG_TANGLE}
do
if [[ ! -f ${file} ]]
then
print "${file} not found"
exit 3
fi
done
}
for file in ${CONFIG_DOC} ${CONFIG_TANGLE}
do
if [[ ! -f ${file} ]]
then
print "${file} not found"
exit 3
fi
done
@ -53,7 +47,7 @@ function install_htmlize()
[[ -f ${HTMLIZE} ]] || (
cd ${DOCS}/html
git clone ${url} \
${srcdir}/missing git clone ${url} \
&& cp ${repo}/htmlize.el ${HTMLIZE} \
&& rm -rf ${repo}
cd -
@ -71,8 +65,8 @@ function extract_doc()
# Extracts documentation from an org-mode file.
local org=$1
local local_html=${SRC}/${org%.org}.html
local local_text=${SRC}/${org%.org}.txt
local local_html=${ORG}/${org%.org}.html
local local_text=${ORG}/${org%.org}.txt
local html=${DOCS}/html/${org%.org}.html
local text=${DOCS}/text/${org%.org}.txt
@ -80,7 +74,7 @@ function extract_doc()
then
return
fi
emacs --batch \
${srcdir}/missing emacs --batch \
--load ${HTMLIZE} \
--load ${CONFIG_DOC} \
${org} \
@ -97,8 +91,6 @@ function extract_doc()
function main() {
check_preconditions || exit 1
# Install htmlize if needed
install_htmlize || exit 2
@ -108,7 +100,6 @@ function main() {
for i in *.org
do
echo
echo "======= ${i} ======="
extract_doc ${i}
done
@ -122,5 +113,6 @@ function main() {
else
exit 3
fi
}
main

197
tools/build_makefile.sh Executable file
View File

@ -0,0 +1,197 @@
#!/bin/bash
#
# Creates all the dependencies from the org-mode files
set -e
if [[ -z ${srcdir} ]] ; then
echo "Error: srcdir environment variable is not defined"
exit 1
fi
WD=$PWD
function make_src()
{
cd ${srcdir}
declare -A DEPS DEPS_ORG
C_FILES=
F_FILES=
FH_FUNC_FILES=
FH_TYPE_FILES=
H_FUNC_FILES=
H_TYPE_FILES=
H_PRIVATE_FUNC_FILES=
H_PRIVATE_TYPE_FILES=
C_TEST_FILES=
F_TEST_FILES=
for org in org/*.org ; do
ORG_FILES+="\$(srcdir)/$org "
i=${org%.org}
i="\$(srcdir)/src/${i#org/}"
c="${i}.c"
o="${i}.o"
h_func="${i}_func.h"
h_type="${i}_type.h"
h_private_func="${i}_private_func.h"
h_private_type="${i}_private_type.h"
f90="${i}_f.f90"
fo="${i}_f.o"
fh_func="${i}_fh_func.f90"
fh_type="${i}_fh_type.f90"
grep -q "(eval c)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$c "
DEPS[$o]+=" $c "
C_FILES+=" $c"
C_O_FILES+=" $o"
fi
grep -q "(eval h_func)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$h_func "
DEPS[$o]+=" $h_func"
H_FUNC_FILES+=" $h_func"
fi
grep -q "(eval h_type)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$h_type "
DEPS[$o]+=" $h_type"
H_TYPE_FILES+=" $h_type"
fi
grep -q "(eval h_private_type)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$h_private_type "
DEPS[$o]+=" $h_private_type"
H_PRIVATE_TYPE_FILES+=" $h_private_type"
fi
grep -q "(eval h_private_func)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$h_private_func "
DEPS[$o]+=" $h_private_func"
H_PRIVATE_FUNC_FILES+=" $h_private_func"
fi
grep -q "(eval f)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$f90 "
DEPS[$fo]+="$f90 "
F_FILES+=" $f90"
fi
grep -q "(eval fh_func)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$fh_func "
DEPS[$fo]+=" $fh_func"
FH_FUNC_FILES+=" $fh_func"
fi
grep -q "(eval fh_type)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$fh_type "
DEPS[$fo]+=" $fh_type"
FH_TYPE_FILES+=" $fh_type"
fi
done
for org in org/*.org ; do
i=${org%.org}
i=${i#org/}
o="\$(srcdir)/src/${i}.o"
fo="\$(srcdir)/src/${i}_f.o"
c="\$(srcdir)/src/${i}.c"
f90="\$(srcdir)/src/${i}_f.f90"
c_test_o="\$(srcdir)/src/test_${i}.o"
f_test_o="\$(srcdir)/src/test_${i}_f.o"
c_test="\$(srcdir)/src/test_${i}.c"
f_test="\$(srcdir)/src/test_${i}_f.f90"
grep -q "(eval c_test)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$c_test "
DEPS[$c_test_o]+=" $c_test $o"
C_TEST_FILES+=" $c_test"
fi
grep -q "(eval f_test)" $org
if [[ $? -eq 0 ]] ; then
DEPS_ORG[$org]+="$f_test "
DEPS[$f_test_o]+=" $f_test $fo"
F_TEST_FILES+=" $f_test"
fi
done
for org in org/*.org ; do
i=${org%.org}
i="\$(srcdir)/src/${i#org/}"
c="${i}.c"
o="${i}.o"
fo="${i}_f.o"
for i in ${!DEPS[@]} ; do
extension="${i##*.}"
grep -q "$i" $org
if [[ $? -ne 0 ]] ; then
if [[ "$extension" == h ]] ; then
DEPS[$o]+=" $i"
elif [[ "$extension" == f90 ]] ; then
DEPS[$fo]+=" $i"
fi
fi
done
done
for f in ${!DEPS[@]} ; do
if [[ "${f/_f.o/_f.ox}" == ${f}x ]] ; then
DEPS["${f}"]+=" qmckl_f.o"
elif [[ "${f/.o/.ox}" == ${f}x ]] ; then
DEPS["$f"]+=" \$(qmckl_h)"
fi
done
OUTPUT=${WD}/generated.mk
echo > ${OUTPUT}
echo "## Source files" > ${OUTPUT}
echo >> ${OUTPUT}
echo "ORG_FILES=${ORG_FILES}" >> ${OUTPUT}
echo "C_FILES=${C_FILES}" >> ${OUTPUT}
echo "F_FILES=${F_FILES}" >> ${OUTPUT}
echo "C_O_FILES=${C_O_FILES}" >> ${OUTPUT}
echo "F_O_FILES=${F_O_FILES}" >> ${OUTPUT}
echo "FH_FUNC_FILES=${FH_FUNC_FILES}" >> ${OUTPUT}
echo "FH_TYPE_FILES=${FH_TYPE_FILES}" >> ${OUTPUT}
echo "H_FUNC_FILES=${H_FUNC_FILES}" >> ${OUTPUT}
echo "H_TYPE_FILES=${H_TYPE_FILES}" >> ${OUTPUT}
echo "H_PRIVATE_FUNC_FILES=${H_PRIVATE_FUNC_FILES}" >> ${OUTPUT}
echo "H_PRIVATE_TYPE_FILES=${H_PRIVATE_TYPE_FILES}" >> ${OUTPUT}
echo "C_TEST_FILES=${C_TEST_FILES}" >> ${OUTPUT}
echo "F_TEST_FILES=${F_TEST_FILES}" >> ${OUTPUT}
echo >> ${OUTPUT}
echo >> ${OUTPUT}
echo "## Org-mode inherited dependencies" >> ${OUTPUT}
echo >> ${OUTPUT}
for f in ${!DEPS_ORG[@]} ; do
echo ${DEPS_ORG[$f]}: $f
echo " \$(tangle_verbose)\$(srcdir)/tools/tangle.sh $f"
echo ""
done >> ${OUTPUT}
echo >> ${OUTPUT}
echo >> ${OUTPUT}
echo "## Source dependencies" >> ${OUTPUT}
echo >> ${OUTPUT}
for f in ${!DEPS[@]} ; do
echo ${f}: ${DEPS[$f]}
done | sort >> ${OUTPUT}
}
make_src

91
tools/build_qmckl_f.sh Executable file
View File

@ -0,0 +1,91 @@
#!/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

103
tools/build_qmckl_h.sh
View File

@ -5,26 +5,38 @@
# file, located in the include directory. The =*_private.h= files
# are excluded.
# Put =.h= files in the correct order:
set -e
# Check required environment variables
# ------------------------------------
if [[ -z ${srcdir} ]] ; then
echo "Error: srcdir environment variable is not defined"
exit 1
fi
if [[ -z ${qmckl_h} ]] ; then
echo "Error: qmckl_h environment variable is not defined"
exit 1
fi
# Generate C header file
# ----------------------
HEADERS=""
for i in $(cat table_of_contents)
for i in $(cat ${srcdir}/org/table_of_contents)
do
HEADERS+="${i%.org}_type.h "
done
for i in $(cat table_of_contents)
for i in $(cat ${srcdir}/org/table_of_contents)
do
HEADERS+="${i%.org}_func.h "
done
# Generate C header file
OUTPUT="qmckl.h"
OUTPUT=${qmckl_h}
cat << EOF > ${OUTPUT}
/*
@ -80,8 +92,9 @@ EOF
for i in ${HEADERS}
do
if [[ -f $i ]] ; then
cat $i >> ${OUTPUT}
header=${srcdir}/src/$i
if [[ -f $header ]] ; then
cat $header >> ${OUTPUT}
fi
done
@ -90,71 +103,3 @@ cat << EOF >> ${OUTPUT}
EOF
# Generate Fortran interface file from all =qmckl_*_fh.f90= files
HEADERS_TYPE="qmckl_*_fh_type.f90"
HEADERS="qmckl_*_fh_func.f90"
OUTPUT="qmckl_f.f90"
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

21
tools/config_tangle.el
View File

@ -34,16 +34,17 @@
; The following is required to compute the file names
(setq pwd (file-name-directory buffer-file-name))
(setq wd (concat pwd "/../src/"))
(setq name (file-name-nondirectory (substring buffer-file-name 0 -4)))
(setq f (concat pwd name "_f.f90"))
(setq fh_func (concat pwd name "_fh_func.f90"))
(setq fh_type (concat pwd name "_fh_type.f90"))
(setq c (concat pwd name ".c"))
(setq h_func (concat name "_func.h"))
(setq h_type (concat name "_type.h"))
(setq h_private_type (concat name "_private_type.h"))
(setq h_private_func (concat name "_private_func.h"))
(setq c_test (concat pwd "test_" name ".c"))
(setq f_test (concat pwd "test_" name "_f.f90"))
(setq f (concat wd name "_f.f90"))
(setq fh_func (concat wd name "_fh_func.f90"))
(setq fh_type (concat wd name "_fh_type.f90"))
(setq c (concat wd name ".c"))
(setq h_func (concat wd name "_func.h"))
(setq h_type (concat wd name "_type.h"))
(setq h_private_type (concat wd name "_private_type.h"))
(setq h_private_func (concat wd name "_private_func.h"))
(setq c_test (concat wd "test_" name ".c"))
(setq f_test (concat wd "test_" name "_f.f90"))
(org-babel-lob-ingest "../tools/lib.org")

146
tools/create_makefile.sh
View File

@ -1,146 +0,0 @@
#!/bin/bash
function org_files() {
echo ORG_FILES=$(echo *.org)
}
declare -A DEPS
C_FILES=
F_FILES=
FH_FUNC_FILES=
FH_TYPE_FILES=
H_FUNC_FILES=
H_TYPE_FILES=
H_PRIVATE_FUNC_FILES=
H_PRIVATE_TYPE_FILES=
C_TEST_FILES=
F_TEST_FILES=
for org in qmckl_*.org ; do
i=${org%.org}
c=${i}.c
h_func=${i}_func.h
h_type=${i}_type.h
h_private_func=${i}_private_func.h
h_private_type=${i}_private_type.h
f90=${i}_f.f90
fh_func=${i}_fh_func.f90
fh_type=${i}_fh_type.f90
grep -q "(eval c)" $org
if [[ $? -eq 0 ]] ; then
DEPS["$c"]+=" $org"
C_FILES+=" $c"
fi
grep -q "(eval h_func)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$h_func]+=" $org"
DEPS[$c]+=" $h_func"
H_FUNC_FILES+=" $h_func"
fi
grep -q "(eval h_type)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$h_type]+=" $org"
DEPS[$c]+=" $h_type"
H_TYPE_FILES+=" $h_type"
fi
grep -q "(eval h_private_type)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$h_private_type]+=" $org"
DEPS[$c]+=" $h_private_type"
H_PRIVATE_TYPE_FILES+=" $h_private_type"
fi
grep -q "(eval h_private_func)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$h_private_func]+=" $org"
DEPS[$c]+=" $h_private_func"
H_PRIVATE_FUNC_FILES+=" $h_private_func"
fi
grep -q "(eval f)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$f90]+=" $org"
F_FILES+=" $f90"
fi
grep -q "(eval fh_func)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$fh_func]+=" $org"
DEPS[$f90]+=" $fh_func"
FH_FUNC_FILES+=" $fh_func"
fi
grep -q "(eval fh_type)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$fh_type]+=" $org"
DEPS[$f90]+=" $fh_type"
FH_TYPE_FILES+=" $fh_type"
fi
done
for org in qmckl_*.org ; do
i=${org%.org}
c=${i}.c
f90=${i}.f90
c_test=test_${i}.c
f_test=test_${i}_f.f90
grep -q "(eval c_test)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$c_test]+=" $org ${DEPS[$c]}"
C_TEST_FILES+=" $c_test"
fi
grep -q "(eval f_test)" $org
if [[ $? -eq 0 ]] ; then
DEPS[$f_test]+=" $org ${DEPS[$f90]}"
F_TEST_FILES+=" $f_test"
fi
done
for org in ${ORG_FILES} ; do
i=${org%.org}
c=${i}.c
f90=${i}.f90
for f in ${!DEPS[@]} ; do
extension="${f##*.}"
grep -q "$f" $org
if [[ $? -ne 0 ]] ; then
if [[ extension == ".h" ]] ; then
DEPS[$c]+=" $f"
elif [[ extension == ".f90" ]] ; then
DEPS[$f90]+=" $f"
fi
fi
done
done
for f in ${!DEPS[@]} ; do
if [[ "${f/_f.f90/_f.f90x}" == "${f}x" ]] ; then
DEPS["$f"]+=" qmckl_f.o"
fi
done
echo > generated.mk
echo "C_FILES=${C_FILES}" >> generated.mk
echo "F_FILES=${F_FILES}" >> generated.mk
echo "FH_FUNC_FILES=${FH_FUNC_FILES}" >> generated.mk
echo "FH_TYPE_FILES=${FH_TYPE_FILES}" >> generated.mk
echo "H_FUNC_FILES=${H_FUNC_FILES}" >> generated.mk
echo "H_TYPE_FILES=${H_TYPE_FILES}" >> generated.mk
echo "H_PRIVATE_FUNC_FILES=${H_PRIVATE_FUNC_FILES}" >> generated.mk
echo "H_PRIVATE_TYPE_FILES=${H_PRIVATE_TYPE_FILES}" >> generated.mk
echo "C_TEST_FILES=${C_TEST_FILES}" >> generated.mk
echo "F_TEST_FILES=${F_TEST_FILES}" >> generated.mk
echo >> generated.mk
for f in ${!DEPS[@]} ; do
echo ${f}: ${DEPS[$f]}
done | sort >> generated.mk

11
tools/tangle.sh
View File

@ -8,12 +8,11 @@
# date of the org file is older than one of the tangled files.
# The =missing= script is used to check if emacs is present on the system.
if [[ $(basename $PWD) != "src" ]] ; then
print "Error: $0 needs to be run from src directory"
exit 1
if [[ -z ${srcdir} ]] ; then
print "Error: srcdir environment variable is not defined"
exit 1
fi
function tangle()
{
local org_file=$1
@ -25,9 +24,9 @@ function tangle()
elif [[ ${org_file} -ot ${f_file} ]] ; then
return
fi
../missing \
./missing \
emacs --batch ${org_file} \
--load=${top_srcdir}/tools/config_tangle.el \
--load=${PWD}/tools/config_tangle.el \
-f org-babel-tangle
}