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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-12-21 20:04:08 +01:00

Automake working

This commit is contained in:
Anthony Scemama 2021-05-10 23:56:26 +02:00
parent 0cb247e682
commit 18ef3a02b8
18 changed files with 2652 additions and 552 deletions

12
AUTHORS Normal file
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@ -0,0 +1,12 @@
* Authors
- Anthony Scemama
- Claudia Filippi
- Francois Coppens
- Pablo de Oliveira Castro
- Ramón Panadés-Barrueta
- Sandro Sorella
- Vijay Gopal Chilkuri

0
ChangeLog Normal file
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368
INSTALL Normal file
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@ -0,0 +1,368 @@
Installation Instructions
*************************
Copyright (C) 1994-1996, 1999-2002, 2004-2016 Free Software
Foundation, Inc.
Copying and distribution of this file, with or without modification,
are permitted in any medium without royalty provided the copyright
notice and this notice are preserved. This file is offered as-is,
without warranty of any kind.
Basic Installation
==================
Briefly, the shell command './configure && make && make install'
should configure, build, and install this package. The following
more-detailed instructions are generic; see the 'README' file for
instructions specific to this package. Some packages provide this
'INSTALL' file but do not implement all of the features documented
below. The lack of an optional feature in a given package is not
necessarily a bug. More recommendations for GNU packages can be found
in *note Makefile Conventions: (standards)Makefile Conventions.
The 'configure' shell script attempts to guess correct values for
various system-dependent variables used during compilation. It uses
those values to create a 'Makefile' in each directory of the package.
It may also create one or more '.h' files containing system-dependent
definitions. Finally, it creates a shell script 'config.status' that
you can run in the future to recreate the current configuration, and a
file 'config.log' containing compiler output (useful mainly for
debugging 'configure').
It can also use an optional file (typically called 'config.cache' and
enabled with '--cache-file=config.cache' or simply '-C') that saves the
results of its tests to speed up reconfiguring. Caching is disabled by
default to prevent problems with accidental use of stale cache files.
If you need to do unusual things to compile the package, please try
to figure out how 'configure' could check whether to do them, and mail
diffs or instructions to the address given in the 'README' so they can
be considered for the next release. If you are using the cache, and at
some point 'config.cache' contains results you don't want to keep, you
may remove or edit it.
The file 'configure.ac' (or 'configure.in') is used to create
'configure' by a program called 'autoconf'. You need 'configure.ac' if
you want to change it or regenerate 'configure' using a newer version of
'autoconf'.
The simplest way to compile this package is:
1. 'cd' to the directory containing the package's source code and type
'./configure' to configure the package for your system.
Running 'configure' might take a while. While running, it prints
some messages telling which features it is checking for.
2. Type 'make' to compile the package.
3. Optionally, type 'make check' to run any self-tests that come with
the package, generally using the just-built uninstalled binaries.
4. Type 'make install' to install the programs and any data files and
documentation. When installing into a prefix owned by root, it is
recommended that the package be configured and built as a regular
user, and only the 'make install' phase executed with root
privileges.
5. Optionally, type 'make installcheck' to repeat any self-tests, but
this time using the binaries in their final installed location.
This target does not install anything. Running this target as a
regular user, particularly if the prior 'make install' required
root privileges, verifies that the installation completed
correctly.
6. You can remove the program binaries and object files from the
source code directory by typing 'make clean'. To also remove the
files that 'configure' created (so you can compile the package for
a different kind of computer), type 'make distclean'. There is
also a 'make maintainer-clean' target, but that is intended mainly
for the package's developers. If you use it, you may have to get
all sorts of other programs in order to regenerate files that came
with the distribution.
7. Often, you can also type 'make uninstall' to remove the installed
files again. In practice, not all packages have tested that
uninstallation works correctly, even though it is required by the
GNU Coding Standards.
8. Some packages, particularly those that use Automake, provide 'make
distcheck', which can by used by developers to test that all other
targets like 'make install' and 'make uninstall' work correctly.
This target is generally not run by end users.
Compilers and Options
=====================
Some systems require unusual options for compilation or linking that
the 'configure' script does not know about. Run './configure --help'
for details on some of the pertinent environment variables.
You can give 'configure' initial values for configuration parameters
by setting variables in the command line or in the environment. Here is
an example:
./configure CC=c99 CFLAGS=-g LIBS=-lposix
*Note Defining Variables::, for more details.
Compiling For Multiple Architectures
====================================
You can compile the package for more than one kind of computer at the
same time, by placing the object files for each architecture in their
own directory. To do this, you can use GNU 'make'. 'cd' to the
directory where you want the object files and executables to go and run
the 'configure' script. 'configure' automatically checks for the source
code in the directory that 'configure' is in and in '..'. This is known
as a "VPATH" build.
With a non-GNU 'make', it is safer to compile the package for one
architecture at a time in the source code directory. After you have
installed the package for one architecture, use 'make distclean' before
reconfiguring for another architecture.
On MacOS X 10.5 and later systems, you can create libraries and
executables that work on multiple system types--known as "fat" or
"universal" binaries--by specifying multiple '-arch' options to the
compiler but only a single '-arch' option to the preprocessor. Like
this:
./configure CC="gcc -arch i386 -arch x86_64 -arch ppc -arch ppc64" \
CXX="g++ -arch i386 -arch x86_64 -arch ppc -arch ppc64" \
CPP="gcc -E" CXXCPP="g++ -E"
This is not guaranteed to produce working output in all cases, you
may have to build one architecture at a time and combine the results
using the 'lipo' tool if you have problems.
Installation Names
==================
By default, 'make install' installs the package's commands under
'/usr/local/bin', include files under '/usr/local/include', etc. You
can specify an installation prefix other than '/usr/local' by giving
'configure' the option '--prefix=PREFIX', where PREFIX must be an
absolute file name.
You can specify separate installation prefixes for
architecture-specific files and architecture-independent files. If you
pass the option '--exec-prefix=PREFIX' to 'configure', the package uses
PREFIX as the prefix for installing programs and libraries.
Documentation and other data files still use the regular prefix.
In addition, if you use an unusual directory layout you can give
options like '--bindir=DIR' to specify different values for particular
kinds of files. Run 'configure --help' for a list of the directories
you can set and what kinds of files go in them. In general, the default
for these options is expressed in terms of '${prefix}', so that
specifying just '--prefix' will affect all of the other directory
specifications that were not explicitly provided.
The most portable way to affect installation locations is to pass the
correct locations to 'configure'; however, many packages provide one or
both of the following shortcuts of passing variable assignments to the
'make install' command line to change installation locations without
having to reconfigure or recompile.
The first method involves providing an override variable for each
affected directory. For example, 'make install
prefix=/alternate/directory' will choose an alternate location for all
directory configuration variables that were expressed in terms of
'${prefix}'. Any directories that were specified during 'configure',
but not in terms of '${prefix}', must each be overridden at install time
for the entire installation to be relocated. The approach of makefile
variable overrides for each directory variable is required by the GNU
Coding Standards, and ideally causes no recompilation. However, some
platforms have known limitations with the semantics of shared libraries
that end up requiring recompilation when using this method, particularly
noticeable in packages that use GNU Libtool.
The second method involves providing the 'DESTDIR' variable. For
example, 'make install DESTDIR=/alternate/directory' will prepend
'/alternate/directory' before all installation names. The approach of
'DESTDIR' overrides is not required by the GNU Coding Standards, and
does not work on platforms that have drive letters. On the other hand,
it does better at avoiding recompilation issues, and works well even
when some directory options were not specified in terms of '${prefix}'
at 'configure' time.
Optional Features
=================
If the package supports it, you can cause programs to be installed
with an extra prefix or suffix on their names by giving 'configure' the
option '--program-prefix=PREFIX' or '--program-suffix=SUFFIX'.
Some packages pay attention to '--enable-FEATURE' options to
'configure', where FEATURE indicates an optional part of the package.
They may also pay attention to '--with-PACKAGE' options, where PACKAGE
is something like 'gnu-as' or 'x' (for the X Window System). The
'README' should mention any '--enable-' and '--with-' options that the
package recognizes.
For packages that use the X Window System, 'configure' can usually
find the X include and library files automatically, but if it doesn't,
you can use the 'configure' options '--x-includes=DIR' and
'--x-libraries=DIR' to specify their locations.
Some packages offer the ability to configure how verbose the
execution of 'make' will be. For these packages, running './configure
--enable-silent-rules' sets the default to minimal output, which can be
overridden with 'make V=1'; while running './configure
--disable-silent-rules' sets the default to verbose, which can be
overridden with 'make V=0'.
Particular systems
==================
On HP-UX, the default C compiler is not ANSI C compatible. If GNU CC
is not installed, it is recommended to use the following options in
order to use an ANSI C compiler:
./configure CC="cc -Ae -D_XOPEN_SOURCE=500"
and if that doesn't work, install pre-built binaries of GCC for HP-UX.
HP-UX 'make' updates targets which have the same time stamps as their
prerequisites, which makes it generally unusable when shipped generated
files such as 'configure' are involved. Use GNU 'make' instead.
On OSF/1 a.k.a. Tru64, some versions of the default C compiler cannot
parse its '<wchar.h>' header file. The option '-nodtk' can be used as a
workaround. If GNU CC is not installed, it is therefore recommended to
try
./configure CC="cc"
and if that doesn't work, try
./configure CC="cc -nodtk"
On Solaris, don't put '/usr/ucb' early in your 'PATH'. This
directory contains several dysfunctional programs; working variants of
these programs are available in '/usr/bin'. So, if you need '/usr/ucb'
in your 'PATH', put it _after_ '/usr/bin'.
On Haiku, software installed for all users goes in '/boot/common',
not '/usr/local'. It is recommended to use the following options:
./configure --prefix=/boot/common
Specifying the System Type
==========================
There may be some features 'configure' cannot figure out
automatically, but needs to determine by the type of machine the package
will run on. Usually, assuming the package is built to be run on the
_same_ architectures, 'configure' can figure that out, but if it prints
a message saying it cannot guess the machine type, give it the
'--build=TYPE' option. TYPE can either be a short name for the system
type, such as 'sun4', or a canonical name which has the form:
CPU-COMPANY-SYSTEM
where SYSTEM can have one of these forms:
OS
KERNEL-OS
See the file 'config.sub' for the possible values of each field. If
'config.sub' isn't included in this package, then this package doesn't
need to know the machine type.
If you are _building_ compiler tools for cross-compiling, you should
use the option '--target=TYPE' to select the type of system they will
produce code for.
If you want to _use_ a cross compiler, that generates code for a
platform different from the build platform, you should specify the
"host" platform (i.e., that on which the generated programs will
eventually be run) with '--host=TYPE'.
Sharing Defaults
================
If you want to set default values for 'configure' scripts to share,
you can create a site shell script called 'config.site' that gives
default values for variables like 'CC', 'cache_file', and 'prefix'.
'configure' looks for 'PREFIX/share/config.site' if it exists, then
'PREFIX/etc/config.site' if it exists. Or, you can set the
'CONFIG_SITE' environment variable to the location of the site script.
A warning: not all 'configure' scripts look for a site script.
Defining Variables
==================
Variables not defined in a site shell script can be set in the
environment passed to 'configure'. However, some packages may run
configure again during the build, and the customized values of these
variables may be lost. In order to avoid this problem, you should set
them in the 'configure' command line, using 'VAR=value'. For example:
./configure CC=/usr/local2/bin/gcc
causes the specified 'gcc' to be used as the C compiler (unless it is
overridden in the site shell script).
Unfortunately, this technique does not work for 'CONFIG_SHELL' due to an
Autoconf limitation. Until the limitation is lifted, you can use this
workaround:
CONFIG_SHELL=/bin/bash ./configure CONFIG_SHELL=/bin/bash
'configure' Invocation
======================
'configure' recognizes the following options to control how it
operates.
'--help'
'-h'
Print a summary of all of the options to 'configure', and exit.
'--help=short'
'--help=recursive'
Print a summary of the options unique to this package's
'configure', and exit. The 'short' variant lists options used only
in the top level, while the 'recursive' variant lists options also
present in any nested packages.
'--version'
'-V'
Print the version of Autoconf used to generate the 'configure'
script, and exit.
'--cache-file=FILE'
Enable the cache: use and save the results of the tests in FILE,
traditionally 'config.cache'. FILE defaults to '/dev/null' to
disable caching.
'--config-cache'
'-C'
Alias for '--cache-file=config.cache'.
'--quiet'
'--silent'
'-q'
Do not print messages saying which checks are being made. To
suppress all normal output, redirect it to '/dev/null' (any error
messages will still be shown).
'--srcdir=DIR'
Look for the package's source code in directory DIR. Usually
'configure' can determine that directory automatically.
'--prefix=DIR'
Use DIR as the installation prefix. *note Installation Names:: for
more details, including other options available for fine-tuning the
installation locations.
'--no-create'
'-n'
Run the configure checks, but stop before creating any output
files.
'configure' also accepts some other, not widely useful, options. Run
'configure --help' for more details.

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Makefile.am Normal file
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@ -0,0 +1,54 @@
# 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
# 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.
ACLOCAL_AMFLAGS = -I m4
VERSION_MAJOR = @VERSION_MAJOR@
VERSION_MINOR = @VERSION_MINOR@
VERSION_PATCH = @VERSION_PATCH@
SUBDIRS = src
pkgconfigdir = $(libdir)/pkgconfig
pkgconfig_DATA = qmckl.pc
rpms srcrpm:
for dir in $(SUBDIRS); do \
(cd $$dir && $(MAKE) $(AM_MAKEFLAGS) $@) || exit 1; \
done
.PHONY: rpms srcrpm
README: README.md
COPYING: LICENSE

File diff suppressed because it is too large Load Diff

0
NEWS Normal file
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@ -21,6 +21,33 @@ to dowload also the [munit](https://github.com/nemequ/munit) unit testing
framework.
# Installation
The simplest way to obtain the source files of QMCkl is to download a source
distribution. This particular repository is for maintainers, who write the kernels
in org-mode files and produce the source code and the documentation from these files.
## For maintainers
```
autoreconf
./configure --enable-maintainer-mode --enable-debug
make
make check
```
## For users
Obtain a source distribution and run
```
./configure
make
make check
sudo make install
sudo make installcheck
```
------------------------------
![European flag](https://trex-coe.eu/sites/default/files/inline-images/euflag.jpg)

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@ -1,6 +0,0 @@
#!/bin/bash
autoreconf --install
automake --add-missing --copy &> /dev/null
exit 0

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@ -1,14 +1,46 @@
# -*- Autoconf -*-
# Process this file with autoconf to produce a configure script.
#
# configure script for maintainers.
# 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
# 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.
AC_PREREQ([2.69])
AC_INIT([QMCkl],[0.1.1],
[https://github.com/TREX-CoE/qmckl/issues], [],
[https://trex-coe.github.io/qmckl/index.html])
AM_INIT_AUTOMAKE([color-tests parallel-tests silent-rules 1.11])
AM_MAINTAINER_MODE()
LT_INIT
AC_CONFIG_SRCDIR([src/README.org])
AC_CONFIG_HEADERS([include/config.h])
AC_CONFIG_MACRO_DIR([m4])
@ -20,12 +52,13 @@ 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])
AC_SUBST([VERSION_MAJOR])
AC_SUBST([VERSION_MINOR])
AC_SUBST([VERSION_PATCH])
#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)
@ -36,51 +69,16 @@ AC_PROG_FC
AC_PROG_FC_C_O
AC_FC_SRCEXT([f90])
AC_FC_FREEFORM
AC_PROG_LIBTOOL
AC_PROG_INSTALL
AC_PROG_LN_S
AC_PROG_CC_C99
AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
AC_CHECK_PROGS([HAS_CPPCHECK],[cppcheck],[no])
PKG_PROG_PKG_CONFIG()
PKG_PROG_PKG_CONFIG([])
PKG_LIBS=""
PKG_CFLAGS=""
if test x${EMACS} == xno ; then
AC_MSG_ERROR([
--------------------------------------
Error: Emacs is required for org-mode.
--------------------------------------
])
fi
if test x${HAS_CPPCHECK} == xno ; then
HAS_CPPCHECK=0
else
HAS_CPPCHECK=1
fi
AC_SUBST([HAS_CPPCHECK])
# 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)
SAVED_FCFLAGS="${FCFLAGS}"
FCFLAGS="${FCFLAGS} -fPIC -Werror"
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
@ -200,7 +198,35 @@ AC_FUNC_STRERROR_R
AC_FUNC_FORK
AC_CHECK_FUNCS([clock_gettime dup2 gettimeofday nl_langinfo setlocale strcasecmp strtoul])
if test "x${MAINT}" = "x${MAINTAINER_MODE_TRUE}"; then
AC_PROG_AWK
cd src && ../tools/create_makefile.sh && cd ..
AC_CHECK_PROGS([EMACS],[emacs26 emacs],[no])
if test x${EMACS} == xno ; then
AC_MSG_ERROR([
--------------------------------------
Error: Emacs is required for org-mode.
--------------------------------------
])
fi
AC_CHECK_PROGS([HAS_CPPCHECK],[cppcheck],[no])
if test x${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])
#PKG-CONFIG
#mkl-dynamic-lp64-seq
@ -212,8 +238,6 @@ AC_SUBST([PKG_CFLAGS])
AC_CONFIG_FILES([Makefile
qmckl.pc
configure.ac.dist
src/Makefile.generated
src/Makefile])
@ -226,13 +250,13 @@ ${PACKAGE_NAME} Version ${PACKAGE_VERSION}
Prefix: '${prefix}'.
CC: ${CC}
CPPFLAGS: ${CPPFLAGS}
CFLAGS: ${CFLAGS}
FC: ${FC}
FCLAGS: ${FCFLAGS}
LDFLAGS: ${LDFLAGS}
LIBS: ${LIBS}
CC..........: ${CC}
CPPFLAGS....: ${CPPFLAGS}
CFLAGS......: ${CFLAGS}
FC..........: ${FC}
FCLAGS......: ${FCFLAGS}
LDFLAGS:....: ${LDFLAGS}
LIBS........: ${LIBS}
Package features:
${ARGS}

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@ -19,6 +19,9 @@
don't. */
#undef HAVE_DECL_STRERROR_R
/* Define to 1 if you have the <dlfcn.h> header file. */
#undef HAVE_DLFCN_H
/* Define to 1 if you have the `dup2' function. */
#undef HAVE_DUP2
@ -147,12 +150,18 @@
/* Define to 1 if the system has the type `_Bool'. */
#undef HAVE__BOOL
/* Define to the sub-directory where libtool stores uninstalled libraries. */
#undef LT_OBJDIR
/* Define to use debugging malloc/free */
#undef MALLOC_TRACE
/* Define to 1 if your C compiler doesn't accept -c and -o together. */
#undef NO_MINUS_C_MINUS_O
/* Name of package */
#undef PACKAGE
/* Define to the address where bug reports for this package should be sent. */
#undef PACKAGE_BUGREPORT
@ -186,6 +195,9 @@
/* Define to 1 if strerror_r returns char *. */
#undef STRERROR_R_CHAR_P
/* Version number of package */
#undef VERSION
/* Define for Solaris 2.5.1 so the uint32_t typedef from <sys/synch.h>,
<pthread.h>, or <semaphore.h> is not used. If the typedef were allowed, the
#define below would cause a syntax error. */

56
src/Makefile.am Normal file
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@ -0,0 +1,56 @@
LC_MESSAGES=C
export LC_MESSAGES
SUBDIRS =
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)
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 $@";
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
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:
$(tangle_verbose)$(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)

View File

@ -1,112 +0,0 @@
.POSIX:
.SUFFIXES:
package = @PACKAGE_TARNAME@
version = @PACKAGE_VERSION@
# VPATH-related substitution variables
srcdir = @srcdir@
VPATH = @srcdir@
prefix = @prefix@
CC = @CC@
DEFS = @DEFS@
CFLAGS = @CFLAGS@ -I$(top_srcdir)/munit/ -I$(top_srcdir)/include -I.
CPPFLAGS = @CPPFLAGS@
LIBS = @LIBS@
FC = @FC@
FCFLAGS= @FCFLAGS@
OBJECT_FILES=qmckl_f.o qmckl_ao.o qmckl_ao_f.o qmckl_context.o qmckl_distance_f.o qmckl_electron.o qmckl_electron_f.o qmckl_error.o qmckl_memory.o qmckl_numprec.o
TESTS = test_qmckl_ao.o test_qmckl_context.o test_qmckl_distance.o test_qmckl_electron.o test_qmckl_error.o test_qmckl_memory.o test_qmckl_numprec.o
TESTS_F = test_qmckl_ao_f.o test_qmckl_distance_f.o
LIBS = @LIBS@
FCLIBS = @FCLIBS@
top_srcdir=$(srcdir)/..
shared_lib=$(top_srcdir)/lib/libqmckl.so
static_lib=$(top_srcdir)/lib/libqmckl.a
qmckl_h=$(top_srcdir)/include/qmckl.h
qmckl_f=$(top_srcdir)/share/qmckl/fortran/qmckl_f.f90
munit=$(top_srcdir)/munit/munit.c
datarootdir=$(prefix)/share
datadir=$(datarootdir)
docdir=$(datarootdir)/doc/$(package)
htmldir=$(docdir)/html
libdir=$(prefix)/lib
includedir=$(prefix)/include
fortrandir=$(datarootdir)/$(package)/fortran
shared: $(shared_lib)
static: $(static_lib)
all: shared static
$(shared_lib): $(OBJECT_FILES)
$(CC) -shared $(OBJECT_FILES) -o $(shared_lib)
$(static_lib): $(OBJECT_FILES)
$(AR) rcs $(static_lib) $(OBJECT_FILES)
# Test
qmckl_f.o: $(qmckl_f)
$(FC) $(FCFLAGS) -c $(qmckl_f) -o $@
test_qmckl: test_qmckl.c $(qmckl_h) $(static_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) $(CPPFLAGS) $(DEFS) $(munit) $(TESTS) $(TESTS_F) \
$(static_lib) $(LIBS) $(FCLIBS) test_qmckl.c -o $@
test_qmckl_shared: test_qmckl.c $(qmckl_h) $(shared_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) $(CPPFLAGS) $(DEFS) \
-Wl,-rpath,$(top_srcdir)/lib -L$(top_srcdir)/lib $(munit) $(TESTS) \
$(TESTS_F) -lqmckl $(LIBS) $(FCLIBS) test_qmckl.c -o $@
check: test_qmckl test_qmckl_shared
./test_qmckl
clean:
$(RM) -- *.o *.mod $(shared_lib) $(static_lib) test_qmckl
install:
install -d $(DESTDIR)$(prefix)/lib
install -d $(DESTDIR)$(prefix)/include
install -d $(DESTDIR)$(prefix)/share/qmckl/fortran
install -d $(DESTDIR)$(prefix)/share/doc/qmckl/html/
install -d $(DESTDIR)$(prefix)/share/doc/qmckl/text/
install $(shared_lib) $(DESTDIR)$(libdir)/
install $(static_lib) $(DESTDIR)$(libdir)/
install $(qmckl_h) $(DESTDIR)$(includedir)
install $(qmckl_f) $(DESTDIR)$(fortrandir)
install $(top_srcdir)/share/doc/qmckl/html/*.html $(DESTDIR)$(docdir)/html/
install $(top_srcdir)/share/doc/qmckl/html/*.css $(DESTDIR)$(docdir)/html/
install $(top_srcdir)/share/doc/qmckl/text/*.txt $(DESTDIR)$(docdir)/text/
uninstall:
rm $(DESTDIR)$(libdir)/libqmckl.so
rm $(DESTDIR)$(libdir)/libqmckl.a
rm $(DESTDIR)$(includedir)/qmckl.h
rm -rf $(DESTDIR)$(datarootdir)/$(package)
rm -rf $(DESTDIR)$(docdir)
.SUFFIXES: .c .f90 .o
.c.o:
$(CC) $(CFLAGS) $(CPPFLAGS) $(DEFS) -c $*.c -o $*.o
.f90.o: qmckl_f.o
$(FC) $(FCFLAGS) -c $*.f90 -o $*.o
.PHONY: check cppcheck clean all

File diff suppressed because it is too large Load Diff

View File

@ -1,10 +1,5 @@
#!/bin/bash
# Script to build the documentation
# :PROPERTIES:
# :header-args:bash: :tangle build_doc.sh :noweb yes :shebang #!/bin/bash :comments org
# :END:
# First define readonly global variables.
readonly DOCS=${top_srcdir}/share/doc/qmckl/
@ -15,11 +10,12 @@ readonly CONFIG_TANGLE=${top_srcdir}/tools/config_tangle.el
# Check 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} ]]
then
print "top_srcdir is not defined"
@ -47,12 +43,11 @@ function check_preconditions()
# ~install_htmlize~ installs the htmlize Emacs plugin if the
# =htmlize.el= file is not present.
function install_htmlize()
{
# Installs the htmlize Emacs plugin if the =htmlize.el= file is not present.
local url="https://github.com/hniksic/emacs-htmlize"
local repo="emacs-htmlize"
@ -71,11 +66,10 @@ function install_htmlize()
# Extract documentation from an org-mode file.
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
@ -100,8 +94,6 @@ function extract_doc()
# The main function of the script.
function main() {

View File

@ -1,13 +1,5 @@
#!/bin/bash
# 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:
# This file was created by tools/Building.org
# All the produced header files are concatenated in the =qmckl.h=
# file, located in the include directory. The =*_private.h= files
@ -32,7 +24,7 @@ done
# Generate C header file
OUTPUT="${top_srcdir}/include/qmckl.h"
OUTPUT="qmckl.h"
cat << EOF > ${OUTPUT}
/*
@ -105,7 +97,7 @@ EOF
HEADERS_TYPE="qmckl_*_fh_type.f90"
HEADERS="qmckl_*_fh_func.f90"
OUTPUT="${top_srcdir}/share/qmckl/fortran/qmckl_f.f90"
OUTPUT="qmckl_f.f90"
cat << EOF > ${OUTPUT}
!
! ------------------------------------------

View File

@ -1,180 +1,146 @@
#!/bin/bash
# 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=.
# This file was created by tools/Building.org
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
OUTPUT=Makefile.generated.in
# We start by tangling all the org-mode files.
${top_srcdir}/tools/tangle.sh *.org
${top_srcdir}/tools/build_qmckl_h.sh
# Then we create the list of ~*.o~ files to be created, for library
# functions:
OBJECTS="qmckl_f.o"
for i in $(ls qmckl_*.c qmckl_*f.f90) ; do
FILE=${i%.*}
OBJECTS+=" ${FILE}.o"
done >> $OUTPUT
# for tests in C:
TESTS=""
for i in $(ls test_qmckl_*.c) ; do
FILE=${i%.c}
TESTS+=" ${FILE}.o"
done >> $OUTPUT
# and for tests in Fortran:
TESTS_F=""
for i in $(ls test_qmckl_*_f.f90) ; do
FILE=${i%.f90}
TESTS_F+=" ${FILE}.o"
done >> $OUTPUT
# Finally, we append the variables to the Makefile
cat << EOF > ${OUTPUT}
.POSIX:
.SUFFIXES:
package = @PACKAGE_TARNAME@
version = @PACKAGE_VERSION@
# VPATH-related substitution variables
srcdir = @srcdir@
VPATH = @srcdir@
prefix = @prefix@
CC = @CC@
DEFS = @DEFS@
CFLAGS = @CFLAGS@ -I\$(top_srcdir)/munit/ -I\$(top_srcdir)/include -I.
CPPFLAGS = @CPPFLAGS@
LIBS = @LIBS@
FC = @FC@
FCFLAGS= @FCFLAGS@
OBJECT_FILES=$OBJECTS
TESTS = $TESTS
TESTS_F = $TESTS_F
LIBS = @LIBS@
FCLIBS = @FCLIBS@
EOF
export
echo '
top_srcdir=$(srcdir)/..
shared_lib=$(top_srcdir)/lib/libqmckl.so
static_lib=$(top_srcdir)/lib/libqmckl.a
qmckl_h=$(top_srcdir)/include/qmckl.h
qmckl_f=$(top_srcdir)/share/qmckl/fortran/qmckl_f.f90
munit=$(top_srcdir)/munit/munit.c
datarootdir=$(prefix)/share
datadir=$(datarootdir)
docdir=$(datarootdir)/doc/$(package)
htmldir=$(docdir)/html
libdir=$(prefix)/lib
includedir=$(prefix)/include
fortrandir=$(datarootdir)/$(package)/fortran
shared: $(shared_lib)
static: $(static_lib)
all: shared static
$(shared_lib): $(OBJECT_FILES)
$(CC) -shared $(OBJECT_FILES) -o $(shared_lib)
$(static_lib): $(OBJECT_FILES)
$(AR) rcs $(static_lib) $(OBJECT_FILES)
# Test
qmckl_f.o: $(qmckl_f)
$(FC) $(FCFLAGS) -c $(qmckl_f) -o $@
test_qmckl: test_qmckl.c $(qmckl_h) $(static_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) $(CPPFLAGS) $(DEFS) $(munit) $(TESTS) $(TESTS_F) \
$(static_lib) $(LIBS) $(FCLIBS) test_qmckl.c -o $@
test_qmckl_shared: test_qmckl.c $(qmckl_h) $(shared_lib) $(TESTS) $(TESTS_F)
$(CC) $(CFLAGS) $(CPPFLAGS) $(DEFS) \
-Wl,-rpath,$(top_srcdir)/lib -L$(top_srcdir)/lib $(munit) $(TESTS) \
$(TESTS_F) -lqmckl $(LIBS) $(FCLIBS) test_qmckl.c -o $@
check: test_qmckl test_qmckl_shared
./test_qmckl
clean:
$(RM) -- *.o *.mod $(shared_lib) $(static_lib) test_qmckl
install:
install -d $(DESTDIR)$(prefix)/lib
install -d $(DESTDIR)$(prefix)/include
install -d $(DESTDIR)$(prefix)/share/qmckl/fortran
install -d $(DESTDIR)$(prefix)/share/doc/qmckl/html/
install -d $(DESTDIR)$(prefix)/share/doc/qmckl/text/
install $(shared_lib) $(DESTDIR)$(libdir)/
install $(static_lib) $(DESTDIR)$(libdir)/
install $(qmckl_h) $(DESTDIR)$(includedir)
install $(qmckl_f) $(DESTDIR)$(fortrandir)
install $(top_srcdir)/share/doc/qmckl/html/*.html $(DESTDIR)$(docdir)/html/
install $(top_srcdir)/share/doc/qmckl/html/*.css $(DESTDIR)$(docdir)/html/
install $(top_srcdir)/share/doc/qmckl/text/*.txt $(DESTDIR)$(docdir)/text/
uninstall:
rm $(DESTDIR)$(libdir)/libqmckl.so
rm $(DESTDIR)$(libdir)/libqmckl.a
rm $(DESTDIR)$(includedir)/qmckl.h
rm -rf $(DESTDIR)$(datarootdir)/$(package)
rm -rf $(DESTDIR)$(docdir)
.SUFFIXES: .c .f90 .o
.c.o:
$(CC) $(CFLAGS) $(CPPFLAGS) $(DEFS) -c $*.c -o $*.o
.f90.o: qmckl_f.o
$(FC) $(FCFLAGS) -c $*.f90 -o $*.o
.PHONY: check cppcheck clean all
' >> ${OUTPUT}

View File

@ -1,8 +0,0 @@
#!/bin/bash
OUTPUT=$1
for i in README.org $(cat $QMCKL_ROOT/src/table_of_contents)
do
cat $i >> $1
done

View File

@ -1,23 +1,17 @@
#!/bin/bash
# Script to tangle the org-mode files
# :PROPERTIES:
# :header-args: :tangle tangle.sh :noweb yes :shebang #!/bin/bash :comments org
# :END:
#
# This script tangles all the org-mode files in the src directory of QMCkl.
# It needs to be run from in the src directory. It uses the config_tangle.el
# Emacs configuration 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 org-mode file is not tangled if the last modification
# 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.
# This file was created by tools/Building.org
# 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.
if [[ $(basename $PWD) != "src" ]] ; then
print "Error: $0 needs to be run from src directory"
exit 1
fi
function tangle()
@ -31,11 +25,14 @@ function tangle()
elif [[ ${org_file} -ot ${f_file} ]] ; then
return
fi
emacs --batch ${org_file} --load=${top_srcdir}/tools/config_tangle.el -f org-babel-tangle
../missing \
emacs --batch ${org_file} \
--load=${top_srcdir}/tools/config_tangle.el \
-f org-babel-tangle
}
for i in $@
do
echo "--- ${i} ----"
# echo "--- ${i} ----"
tangle ${i}
done