mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-11-19 04:22:46 +01:00
554 lines
12 KiB
Org Mode
554 lines
12 KiB
Org Mode
#+TITLE: Building tools
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This file contains all the tools needed to build the QMCkl library.
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* Helper functions
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#+NAME: header
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#+begin_src sh :tangle no :exports none :output none
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echo "This file was created by tools/Building.org"
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#+end_src
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#+NAME: check-src
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#+begin_src bash
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if [[ $(basename ${PWD}) != "src" ]] ; then
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echo "This script needs to be run in the src directory"
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exit -1
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fi
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#+end_src
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#+NAME: url-issues
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: https://github.com/trex-coe/qmckl/issues
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#+NAME: url-web
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: https://trex-coe.github.io/qmckl
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#+NAME: license
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#+begin_example
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BSD 3-Clause License
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Copyright (c) 2020, TREX Center of Excellence
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All rights reserved.
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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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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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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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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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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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#+end_example
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* Makefile
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:PROPERTIES:
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:header-args: :tangle ../src/Makefile :noweb yes :comments org
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:END:
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This is the main Makefile invoked by the ~make~ command.
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The Makefile compiling the library is =Makefile.generated=, and is
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generated by the script detailed in the next section.
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** Header :noexport:
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#+begin_src makefile
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# <<header()>>
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#+end_src
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** Dependencies
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#+begin_src makefile
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LIBS=-lpthread
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#+end_src
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** Variables
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#+begin_src makefile
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QMCKL_ROOT=$(shell dirname $(CURDIR))
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export CC CFLAGS FC FFLAGS LIBS QMCKL_ROOT
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ORG_SOURCE_FILES=$(wildcard *.org)
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OBJECT_FILES=$(filter-out $(EXCLUDED_OBJECTS), $(patsubst %.org,%.o,$(ORG_SOURCE_FILES)))
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INCLUDE=-I$(QMCKL_ROOT)/include/
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#+end_src
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** Compiler options
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GNU, Intel and LLVM compilers are supported. Choose here:
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#+begin_src makefile
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COMPILER=GNU
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#COMPILER=INTEL
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#COMPILER=LLVM
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#+end_src
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*** GNU
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#+begin_src makefile
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ifeq ($(COMPILER),GNU)
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#----------------------------------------------------------
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CC=gcc -g
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CFLAGS=-fPIC $(INCLUDE) \
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-fexceptions -Wall -Werror -Wpedantic -Wextra -fmax-errors=3
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FC=gfortran -g
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FFLAGS=-fPIC $(INCLUDE) \
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-fcheck=all -Waliasing -Wampersand -Wconversion -Wsurprising \
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-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
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-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan \
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-ffpe-trap=zero,overflow,underflow
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LIBS+=-lgfortran -lm
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#----------------------------------------------------------
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endif
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#+end_src
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*** Intel
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#+begin_src makefile
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ifeq ($(COMPILER),INTEL)
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#----------------------------------------------------------
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CC=icc -xHost
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CFLAGS=-fPIC -g -O2 $(INCLUDE)
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FC=ifort -xHost
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FFLAGS=-fPIC -g -O2 $(INCLUDE)
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LIBS+=-lm -lifcore -lirc
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#----------------------------------------------------------
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CC=icc -xHost
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endif
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#+end_src
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*** LLVM
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#+begin_src makefile
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ifeq ($(COMPILER),LLVM)
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#----------------------------------------------------------
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CC=clang
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CFLAGS=-fPIC -g -O2 $(INCLUDE)
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FC=flang
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FFLAGS=fPIC -g -O2 $(INCLUDE)
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LIBS+=-lm
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#----------------------------------------------------------
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endif
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#+end_src
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** Rules
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The source files are created during the generation of the file ~Makefile.generated~.
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#+begin_src makefile
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.PHONY: clean
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.SECONDARY: # Needed to keep the produced C and Fortran files
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libqmckl.so: ../include/qmckl.h
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$(MAKE) -f Makefile.generated
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../include/qmckl.h: Makefile.generated
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../tools/build_qmckl_h.sh
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test: libqmckl.so
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$(MAKE) -f Makefile.generated test
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doc: $(ORG_SOURCE_FILES)
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$(QMCKL_ROOT)/tools/build_doc.sh
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clean:
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$(RM) test_qmckl_* test_qmckl.c test_qmckl \
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qmckl_*.f90 qmckl_*.c qmckl_*.o qmckl_*.h \
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Makefile.generated libqmckl.so *.html *.mod
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Makefile.generated: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURCE_FILES)
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$(QMCKL_ROOT)/tools/create_makefile.sh
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#+end_src
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* Script to tangle the org-mode files
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:PROPERTIES:
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:header-args: :tangle tangle.sh :noweb yes :shebang #!/bin/bash :comments org
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:END:
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#+begin_src bash
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# <<header()>>
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<<check_src>>
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#+end_src
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This file needs to be run from the QMCKL =src= directory.
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It tangles all the files in the directory. It uses the =config_tangle.el= file, which contains information required to
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compute the current file names using for example ~(eval c)~ to get
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the name of the produced C file.
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The file is not tangled if the last modification date of the org
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file is less recent than one of the tangled files.
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#+begin_src bash
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function tangle()
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{
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local org_file=$1
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local c_file=${org_file%.org}.c
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local f_file=${org_file%.org}.f90
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if [[ ${org_file} -ot ${c_file} ]] ; then
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return
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elif [[ ${org_file} -ot ${f_file} ]] ; then
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return
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fi
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emacs --batch ${org_file} --load=../tools/config_tangle.el -f org-babel-tangle
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}
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for i in $@
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do
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echo "--- ${i} ----"
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tangle ${i}
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done
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#+end_src
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* Script to generate auto-generated Makefile
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:PROPERTIES:
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:header-args: :tangle create_makefile.sh :noweb yes :shebang #!/bin/bash :comments org
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:END:
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This script generates the Makefile that compiles the library.
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The ~OUTPUT~ variable contains the name of the generated Makefile,typically =Makefile.generated=.
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#+begin_src bash
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# <<header()>>
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<<check_src>>
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OUTPUT=Makefile.generated
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#+end_src
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We start by tangling all the org-mode files.
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#+begin_src bash
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${QMCKL_ROOT}/tools/tangle.sh *.org
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#+end_src
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Then we create the list of ~*.o~ files to be created, for library
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functions:
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#+begin_src bash
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OBJECTS="qmckl_f.o"
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for i in $(ls qmckl_*.c qmckl_*f.f90) ; do
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FILE=${i%.*}
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OBJECTS+=" ${FILE}.o"
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done >> $OUTPUT
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#+end_src
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for tests in C:
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#+begin_src bash
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TESTS=""
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for i in $(ls test_qmckl_*.c) ; do
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FILE=${i%.c}
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TESTS+=" ${FILE}.o"
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done >> $OUTPUT
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#+end_src
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and for tests in Fortran:
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#+begin_src bash
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TESTS_F=""
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for i in $(ls test_qmckl_*_f.f90) ; do
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FILE=${i%.f90}
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TESTS_F+=" ${FILE}.o"
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done >> $OUTPUT
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#+end_src
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Finally, we append the rules to the Makefile
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#+begin_src bash
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cat << EOF > ${OUTPUT}
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CC=$CC
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CFLAGS=$CFLAGS -I../munit/
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FC=$FC
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FFLAGS=$FFLAGS
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OBJECT_FILES=$OBJECTS
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TESTS=$TESTS
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TESTS_F=$TESTS_F
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LIBS=$LIBS
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libqmckl.so: \$(OBJECT_FILES)
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\$(CC) -shared \$(OBJECT_FILES) -o libqmckl.so
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%.o: %.c
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\$(CC) \$(CFLAGS) -c \$*.c -o \$*.o
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%.o: %.f90 qmckl_f.o
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\$(FC) \$(FFLAGS) -c \$*.f90 -o \$*.o
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../include/qmckl.h ../include/qmckl_f.f90:
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../tools/build_qmckl_h.sh
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qmckl_f.o: ../include/qmckl_f.f90
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\$(FC) \$(FFLAGS) -c ../include/qmckl_f.f90 -o qmckl_f.o
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test_qmckl: test_qmckl.c libqmckl.so \$(TESTS) \$(TESTS_F)
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\$(CC) \$(CFLAGS) -Wl,-rpath,$PWD -L. \
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../munit/munit.c \$(TESTS) \$(TESTS_F) -lqmckl \$(LIBS) test_qmckl.c -o test_qmckl
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test: test_qmckl
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./test_qmckl
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.PHONY: test
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EOF
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#+end_src
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* Script to build the final qmckl.h file
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:PROPERTIES:
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:header-args:bash: :tangle build_qmckl_h.sh :noweb yes :shebang #!/bin/bash :comments org
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:END:
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#+begin_src bash :noweb yes
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# <<header()>>
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#+end_src
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#+NAME: qmckl-header
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#+begin_src text :noweb yes
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------------------------------------------
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QMCkl - Quantum Monte Carlo kernel library
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------------------------------------------
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Documentation : <<url-web()>>
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Issues : <<url-issues()>>
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<<license()>>
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#+end_src
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All the produced header files are concatenated in the =qmckl.h=
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file, located in the include directory. The =*_private.h= files
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are excluded.
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Put =.h= files in the correct order:
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#+begin_src bash
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HEADERS=""
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for i in $(cat table_of_contents)
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do
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HEADERS+="${i%.org}_type.h "
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done
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for i in $(cat table_of_contents)
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do
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HEADERS+="${i%.org}_func.h "
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done
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#+end_src
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Generate C header file
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#+begin_src bash
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OUTPUT="../include/qmckl.h"
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cat << EOF > ${OUTPUT}
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/*
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,* <<qmckl-header>>
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,*/
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#ifndef __QMCKL_H__
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#define __QMCKL_H__
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#include <stdlib.h>
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#include <stdint.h>
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EOF
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for i in ${HEADERS}
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do
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if [[ -f $i ]] ; then
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cat $i >> ${OUTPUT}
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fi
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done
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cat << EOF >> ${OUTPUT}
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#endif
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EOF
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#+end_src
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Generate Fortran interface file from all =qmckl_*_fh.f90= files
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#+begin_src bash
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HEADERS_TYPE="qmckl_*_fh_type.f90"
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HEADERS="qmckl_*_fh_func.f90"
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OUTPUT="../include/qmckl_f.f90"
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cat << EOF > ${OUTPUT}
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!
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! <<qmckl-header>>
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!
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module qmckl
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use, intrinsic :: iso_c_binding
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EOF
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for i in ${HEADERS_TYPE}
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do
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cat $i >> ${OUTPUT}
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done
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for i in ${HEADERS}
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do
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cat $i >> ${OUTPUT}
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done
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cat << EOF >> ${OUTPUT}
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end module qmckl
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EOF
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#+end_src
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* Script to build the documentation
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:PROPERTIES:
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:header-args:bash: :tangle build_doc.sh :noweb yes :shebang #!/bin/bash :comments org
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:END:
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First define readonly global variables.
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#+begin_src bash :noweb yes
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readonly DOCS=${QMCKL_ROOT}/docs/
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readonly SRC=${QMCKL_ROOT}/src/
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readonly HTMLIZE=${DOCS}/htmlize.el
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readonly CONFIG_DOC=${QMCKL_ROOT}/tools/config_doc.el
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readonly CONFIG_TANGLE=${QMCKL_ROOT}/tools/config_tangle.el
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#+end_src
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Check that all the defined global variables correspond to files.
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#+begin_src bash :noweb yes
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function check_preconditions()
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{
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if [[ -z ${QMCKL_ROOT} ]]
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then
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print "QMCKL_ROOT is not defined"
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exit 1
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fi
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for dir in ${DOCS} ${SRC}
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do
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if [[ ! -d ${dir} ]]
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then
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print "${dir} not found"
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exit 2
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fi
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done
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for file in ${CONFIG_DOC} ${CONFIG_TANGLE}
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do
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if [[ ! -f ${file} ]]
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then
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print "${file} not found"
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exit 3
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fi
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done
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}
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#+end_src ~install_htmlize~ installs the htmlize Emacs plugin if the =htmlize.el= file is not present.
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#+begin_src bash :noweb yes
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function install_htmlize()
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{
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local url="https://github.com/hniksic/emacs-htmlize"
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local repo="emacs-htmlize"
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[[ -f ${HTMLIZE} ]] || (
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cd ${DOCS}
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git clone ${url} \
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&& cp ${repo}/htmlize.el ${HTMLIZE} \
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&& rm -rf ${repo}
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cd -
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)
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# Assert htmlize is installed
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[[ -f ${HTMLIZE} ]] \
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|| exit 1
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}
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#+end_src
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Extract documentation from an org-mode file.
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#+begin_src bash :noweb yes
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function extract_doc()
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{
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local org=$1
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local local_html=${SRC}/${org%.org}.html
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local html=${DOCS}/${org%.org}.html
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if [[ -f ${html} && ${org} -ot ${html} ]]
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then
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return
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fi
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emacs --batch \
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--load ${HTMLIZE} \
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--load ${CONFIG_DOC} \
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${org} \
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--load ${CONFIG_TANGLE} \
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-f org-html-export-to-html
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mv ${local_html} ${DOCS}
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}
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#+end_src
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The main function of the script.
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#+begin_src bash :noweb yes
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function main() {
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[[ check_preconditions ]] \
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|| exit 1
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# Install htmlize if needed
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[[ install_htmlize ]] \
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|| exit 2
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# Create documentation
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cd ${SRC} \
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|| exit 3
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for i in *.org
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do
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echo
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echo "======= ${i} ======="
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extract_doc ${i}
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done
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if [[ $? -eq 0 ]]
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then
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cd ${DOCS}
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rm -f index.html
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ln README.html index.html
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exit 0
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else
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exit 3
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fi
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}
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main
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#+end_src
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