mirror of
https://github.com/TREX-CoE/qmckl.git
synced 2024-08-17 10:51:44 +02:00
416 lines
9.4 KiB
Org Mode
416 lines
9.4 KiB
Org Mode
#+TITLE: Building tools
|
|
|
|
This file contains all the tools needed to build the QMCkl library.
|
|
|
|
* Helper functions
|
|
#+NAME: header
|
|
#+begin_src sh :tangle no :exports none :output none
|
|
echo "This file was created by tools/Building.org"
|
|
#+end_src
|
|
|
|
#+NAME: check-src
|
|
#+begin_src bash
|
|
if [[ $(basename $PWD) != "src" ]] ; then
|
|
echo "This script needs to be run in the src directory"
|
|
exit -1
|
|
fi
|
|
#+end_src
|
|
|
|
#+NAME: url-issues
|
|
: https://github.com/trex-coe/qmckl/issues
|
|
|
|
#+NAME: url-web
|
|
: https://trex-coe.github.io/qmckl
|
|
|
|
#+NAME: license
|
|
#+begin_example
|
|
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.
|
|
|
|
#+end_example
|
|
|
|
* Makefile
|
|
:PROPERTIES:
|
|
:header-args: :tangle ../src/Makefile :noweb yes :comments org
|
|
:END:
|
|
|
|
This is the main Makefile invoked by the ~make~ command.
|
|
The Makefile compiling the library is =Makefile.generated=, and is
|
|
generated by the script detailed in the next section.
|
|
** Header :noexport:
|
|
|
|
#+begin_src makefile
|
|
# <<header()>>
|
|
#+end_src
|
|
** Dependencies
|
|
|
|
#+begin_src makefile
|
|
LIBS=-lpthread
|
|
#+end_src
|
|
|
|
** Variables
|
|
|
|
#+begin_src makefile
|
|
QMCKL_ROOT=$(shell dirname $(CURDIR))
|
|
|
|
export CC CFLAGS FC FFLAGS LIBS QMCKL_ROOT
|
|
|
|
ORG_SOURCE_FILES=$(wildcard *.org)
|
|
OBJECT_FILES=$(filter-out $(EXCLUDED_OBJECTS), $(patsubst %.org,%.o,$(ORG_SOURCE_FILES)))
|
|
INCLUDE=-I$(QMCKL_ROOT)/include/
|
|
#+end_src
|
|
|
|
** Compiler options
|
|
|
|
GNU, Intel and LLVM compilers are supported. Choose here:
|
|
|
|
#+begin_src makefile
|
|
COMPILER=GNU
|
|
#COMPILER=INTEL
|
|
#COMPILER=LLVM
|
|
#+end_src
|
|
|
|
*** GNU
|
|
|
|
#+begin_src makefile
|
|
ifeq ($(COMPILER),GNU)
|
|
#----------------------------------------------------------
|
|
CC=gcc -g
|
|
CFLAGS=-fPIC $(INCLUDE) \
|
|
-fexceptions -Wall -Werror -Wpedantic -Wextra -fmax-errors=3
|
|
|
|
FC=gfortran -g
|
|
FFLAGS=-fPIC $(INCLUDE) \
|
|
-fcheck=all -Waliasing -Wampersand -Wconversion -Wsurprising \
|
|
-Wintrinsics-std -Wno-tabs -Wintrinsic-shadow -Wline-truncation \
|
|
-Wreal-q-constant -Wuninitialized -fbacktrace -finit-real=nan \
|
|
-ffpe-trap=zero,overflow,underflow
|
|
|
|
LIBS+=-lgfortran -lm
|
|
#----------------------------------------------------------
|
|
endif
|
|
#+end_src
|
|
|
|
*** Intel
|
|
|
|
#+begin_src makefile
|
|
ifeq ($(COMPILER),INTEL)
|
|
#----------------------------------------------------------
|
|
CC=icc -xHost
|
|
CFLAGS=-fPIC -g -O2 $(INCLUDE)
|
|
|
|
FC=ifort -xHost
|
|
FFLAGS=-fPIC -g -O2 $(INCLUDE)
|
|
|
|
LIBS+=-lm -lifcore -lirc
|
|
#----------------------------------------------------------
|
|
CC=icc -xHost
|
|
endif
|
|
#+end_src
|
|
|
|
*** LLVM
|
|
|
|
#+begin_src makefile
|
|
ifeq ($(COMPILER),LLVM)
|
|
#----------------------------------------------------------
|
|
CC=clang
|
|
CFLAGS=-fPIC -g -O2 $(INCLUDE)
|
|
|
|
FC=flang
|
|
FFLAGS=fPIC -g -O2 $(INCLUDE)
|
|
|
|
LIBS+=-lm
|
|
#----------------------------------------------------------
|
|
endif
|
|
#+end_src
|
|
|
|
** Rules
|
|
|
|
The source files are created during the generation of the file ~Makefile.generated~.
|
|
|
|
#+begin_src makefile
|
|
.PHONY: clean
|
|
.SECONDARY: # Needed to keep the produced C and Fortran files
|
|
|
|
libqmckl.so: Makefile.generated
|
|
$(MAKE) -f Makefile.generated
|
|
|
|
../include/qmckl.h: libqmckl.so
|
|
../tools/build_qmckl_h.sh
|
|
|
|
test: Makefile.generated ../include/qmckl.h
|
|
$(MAKE) -f Makefile.generated test
|
|
|
|
doc: $(ORG_SOURCE_FILES)
|
|
$(QMCKL_ROOT)/tools/create_doc.sh
|
|
|
|
clean:
|
|
$(RM) test_qmckl_* test_qmckl.c test_qmckl \
|
|
qmckl_*.f90 qmckl_*.c qmckl_*.o qmckl_*.h \
|
|
Makefile.generated libqmckl.so *.html *.mod
|
|
|
|
Makefile.generated: Makefile $(QMCKL_ROOT)/tools/create_makefile.sh $(ORG_SOURCE_FILES)
|
|
$(QMCKL_ROOT)/tools/create_makefile.sh
|
|
#+end_src
|
|
|
|
* Script to tangle the org-mode files
|
|
:PROPERTIES:
|
|
:header-args: :tangle tangle.sh :noweb yes :shebang #!/bin/bash :comments org
|
|
:END:
|
|
|
|
#+begin_src bash
|
|
# <<header()>>
|
|
|
|
<<check_src>>
|
|
#+end_src
|
|
|
|
This file needs to be run from the QMCKL =src= directory.
|
|
|
|
It tangles all the files in the directory. It uses the =config_tangle.el= file, which contains information required to
|
|
compute the current file names using for example ~(eval c)~ to get
|
|
the name of the produced C file.
|
|
|
|
The file is not tangled if the last modification date of the org
|
|
file is less recent than one of the tangled files.
|
|
#+begin_src bash
|
|
function tangle()
|
|
{
|
|
if [[ -f ${1%.org}.c && $1 -ot ${1%.org}.c ]]
|
|
then return
|
|
elif [[ -f ${1%.org}.f90 && $1 -ot ${1%.org}.f90 ]]
|
|
then return
|
|
fi
|
|
emacs --batch $1 --load=../tools/config_tangle.el -f org-babel-tangle
|
|
}
|
|
|
|
|
|
for i in $@
|
|
do
|
|
echo "--- $i ----"
|
|
tangle $i
|
|
done
|
|
#+end_src
|
|
|
|
* Script to generate auto-generated Makefile
|
|
:PROPERTIES:
|
|
:header-args: :tangle create_makefile.sh :noweb yes :shebang #!/bin/bash :comments org
|
|
:END:
|
|
|
|
This script generates the Makefile that compiles the library.
|
|
The ~OUTPUT~ variable contains the name of the generated Makefile,typically =Makefile.generated=.
|
|
|
|
#+begin_src bash
|
|
# <<header()>>
|
|
|
|
<<check_src>>
|
|
|
|
OUTPUT=Makefile.generated
|
|
#+end_src
|
|
|
|
We start by tangling all the org-mode files.
|
|
|
|
#+begin_src bash
|
|
${QMCKL_ROOT}/tools/tangle.sh *.org
|
|
#+end_src
|
|
|
|
Then we create the list of ~*.o~ files to be created, for library
|
|
functions:
|
|
|
|
#+begin_src bash
|
|
OBJECTS="qmckl_f.o"
|
|
for i in $(ls qmckl_*.c) ; do
|
|
FILE=${i%.c}
|
|
OBJECTS="${OBJECTS} ${FILE}.o"
|
|
done >> $OUTPUT
|
|
|
|
for i in $(ls qmckl*_f.f90) ; do
|
|
FILE=${i%.f90}
|
|
OBJECTS="${OBJECTS} ${FILE}.o"
|
|
done >> $OUTPUT
|
|
#+end_src
|
|
|
|
for tests in C:
|
|
|
|
#+begin_src bash
|
|
TESTS=""
|
|
for i in $(ls test_qmckl_*.c) ; do
|
|
FILE=${i%.c}.o
|
|
TESTS="${TESTS} ${FILE}"
|
|
done >> $OUTPUT
|
|
#+end_src
|
|
|
|
and for tests in Fortran:
|
|
|
|
#+begin_src bash
|
|
TESTS_F=""
|
|
for i in $(ls test_qmckl_*_f.f90) ; do
|
|
FILE=${i%.f90}.o
|
|
TESTS_F="${TESTS_F} ${FILE}"
|
|
done >> $OUTPUT
|
|
#+end_src
|
|
|
|
Finally, we append the rules to the Makefile
|
|
|
|
#+begin_src bash
|
|
cat << EOF > ${OUTPUT}
|
|
CC=$CC
|
|
CFLAGS=$CFLAGS -I../munit/
|
|
|
|
FC=$FC
|
|
FFLAGS=$FFLAGS
|
|
OBJECT_FILES=$OBJECTS
|
|
TESTS=$TESTS
|
|
TESTS_F=$TESTS_F
|
|
|
|
LIBS=$LIBS
|
|
|
|
libqmckl.so: \$(OBJECT_FILES)
|
|
\$(CC) -shared \$(OBJECT_FILES) -o libqmckl.so
|
|
|
|
%.o: %.c
|
|
\$(CC) \$(CFLAGS) -c \$*.c -o \$*.o
|
|
|
|
%.o: %.f90 qmckl_f.o
|
|
\$(FC) \$(FFLAGS) -c \$*.f90 -o \$*.o
|
|
|
|
../include/qmckl.h ../include/qmckl_f.f90:
|
|
../tools/build_qmckl_h.sh
|
|
|
|
qmckl_f.o: ../include/qmckl_f.f90
|
|
\$(FC) \$(FFLAGS) -c ../include/qmckl_f.f90 -o qmckl_f.o
|
|
|
|
test_qmckl: test_qmckl.c libqmckl.so \$(TESTS) \$(TESTS_F)
|
|
\$(CC) \$(CFLAGS) -Wl,-rpath,$PWD -L. \
|
|
../munit/munit.c \$(TESTS) \$(TESTS_F) -lqmckl \$(LIBS) test_qmckl.c -o test_qmckl
|
|
|
|
test: test_qmckl
|
|
./test_qmckl
|
|
|
|
.PHONY: test
|
|
EOF
|
|
|
|
#+end_src
|
|
|
|
* Script to build the final qmckl.h file
|
|
:PROPERTIES:
|
|
:header-args:bash: :tangle build_qmckl_h.sh :noweb yes :shebang #!/bin/bash :comments org
|
|
:END:
|
|
|
|
#+begin_src bash :noweb yes
|
|
# <<header()>>
|
|
|
|
#+end_src
|
|
|
|
#+NAME: qmckl-header
|
|
#+begin_src text :noweb yes
|
|
------------------------------------------
|
|
QMCkl - Quantum Monte Carlo kernel library
|
|
------------------------------------------
|
|
|
|
Documentation : <<url-web()>>
|
|
Issues : <<url-issues()>>
|
|
|
|
<<license()>>
|
|
|
|
|
|
#+end_src
|
|
|
|
All the produced header files are concatenated in the =qmckl.h=
|
|
file, located in the include directory. The =*_private.h= files
|
|
are excluded.
|
|
|
|
Put =.h= files in the correct order:
|
|
|
|
#+begin_src bash
|
|
HEADERS=""
|
|
for i in $(cat table_of_contents)
|
|
do
|
|
HEADERS+="${i%.org}.h "
|
|
done
|
|
#+end_src
|
|
|
|
Generate C header file
|
|
|
|
#+begin_src bash
|
|
OUTPUT="../include/qmckl.h"
|
|
|
|
cat << EOF > ${OUTPUT}
|
|
/*
|
|
,* <<qmckl-header>>
|
|
,*/
|
|
|
|
#ifndef __QMCKL_H__
|
|
#define __QMCKL_H__
|
|
|
|
#include <stdlib.h>
|
|
#include <stdint.h>
|
|
EOF
|
|
|
|
for i in ${HEADERS}
|
|
do
|
|
if [[ -f $i ]] ; then
|
|
cat $i >> ${OUTPUT}
|
|
fi
|
|
done
|
|
|
|
cat << EOF >> ${OUTPUT}
|
|
#endif
|
|
EOF
|
|
#+end_src
|
|
|
|
Generate Fortran interface file from all =qmckl_*_fh.f90= files
|
|
|
|
#+begin_src bash
|
|
HEADERS="qmckl_*_fh.f90"
|
|
|
|
OUTPUT="../include/qmckl_f.f90"
|
|
cat << EOF > ${OUTPUT}
|
|
!
|
|
! <<qmckl-header>>
|
|
!
|
|
module qmckl
|
|
use, intrinsic :: iso_c_binding
|
|
EOF
|
|
|
|
for i in ${HEADERS}
|
|
do
|
|
cat $i >> ${OUTPUT}
|
|
done
|
|
|
|
cat << EOF >> ${OUTPUT}
|
|
end module qmckl
|
|
EOF
|
|
#+end_src
|
|
|
|
* Script to build the documentation
|
|
* Script to build the documentation
|