Commit d385005d authored by Irina Lebedeva's avatar Irina Lebedeva
Browse files

Merge branch '12-replace-subdirectories-by-git-submodules' into 'master'

Resolve "Replace subdirectories by Git submodules"

Closes #12

See merge request ElectronicStructureLibrary/omm/omm-bundle!20
parents 56abb102 063b84b7
[submodule "pspBLAS"]
path = pspBLAS
url = ../pspblas.git
[submodule "MatrixSwitch"]
path = MatrixSwitch
url = ../matrixswitch.git
[submodule "libOMM"]
path = libOMM
url = ../libomm.git
[submodule "tomato"]
path = tomato
url = ../tomato.git
[submodule "dbcsr"]
path = dbcsr
url = ../dbcsr.git
[submodule "libxsmm"]
path = libxsmm
url = ../libxsmm.git
Subproject commit 1e1197f3ed470a928c35d4a4c603d357c2e5940d
Makefile.in
aclocal.m4
autom4te.cache
/config/gnu
config.h.in
configure
libtool.m4
ltoptions.m4
ltsugar.m4
ltversion.m4
lt~obsolete.m4
Fabiano Corsetti, Imperial College London, UK
* Email: fabiano.corsetti08 {at} imperial.ac.uk
* Homepage: <http://www.cmth.ph.ic.ac.uk/people/f.corsetti/>
Copyright (c) 2014, Fabiano Corsetti
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.
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.
Installation Instructions
*************************
Copyright (C) 1994-1996, 1999-2002, 2004-2013 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
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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
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and enabled with `--cache-file=config.cache' or simply `-C') that saves
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If you need to do unusual things to compile the package, please try
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The simplest way to compile this package is:
1. `cd' to the directory containing the package's source code and type
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Running `configure' might take a while. While running, it prints
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2. Type `make' to compile the package.
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5. Optionally, type `make installcheck' to repeat any self-tests, but
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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
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files again. In practice, not all packages have tested that
uninstallation works correctly, even though it is required by the
GNU Coding Standards.
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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
=====================
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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
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directory where you want the object files and executables to go and run
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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
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You can specify separate installation prefixes for
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Documentation and other data files still use the regular prefix.
In addition, if you use an unusual directory layout you can give
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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
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The first method involves providing an override variable for each
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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
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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
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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
=================
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package recognizes.
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`--x-libraries=DIR' to specify their locations.
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--disable-silent-rules' sets the default to verbose, which can be
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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
==========================
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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.
# -*- Automake -*-
#
# Makefile for the MatrixSwitch package
#
# Copyright (C) 2016 Yann Pouillon
#
# This file is part of the MatrixSwitch software package. For license information,
# please see the COPYING file in the top-level directory of the source
# distribution.
#
# ------------------------------------ #
# Autotools parameters
ACLOCAL_AMFLAGS = -I config/m4
# Subdirectories containing makefiles
SUBDIRS = src examples doc
# Support for pkg-config (see http://pkg-config.freedesktop.org/wiki/)
pkgconfigdir = $(prefix)/lib/pkgconfig
pkgconfig_DATA = config/data/MatrixSwitch.pc
# Files to explicitly distribute in the source package
EXTRA_DIST = \
config/data/MatrixSwitch.pc.in \
config/data/MatrixSwitch-config.yaml.in \
config/scripts/markdown
# Custom targets
distclean-local:
rm -f $(distdir).tar.bz2 $(distdir).tar.gz $(distdir).tar.xz
MatrixSwitch
============
Description
-----------
MatrixSwitch is a module which acts as an intermediary interface layer between
high-level routines for physics-related algorithms and low-level routines
dealing with matrix storage and manipulation. This allows the high-level
routines to be written in a way which is physically transparent, and enables
them to switch seamlessly between different software implementations of the
matrix operations.
Installation
------------
There are two build systems provided for the library. The first is based on
Autotools and is explained in INSTALL. The second is a manual build system
which makes use of the files named Makefile.manual. The manual installation is
explained below.
To install the library manually:
1. Enter the `src` directory.
2. Copy `make.inc.example` to `make.inc` and modify it to suit your needs.
Available options for `FPPFLAGS` are:
* `-DHAVE_MPI`: enable MPI parallel routines
* `-DHAVE_LAPACK`: enable LAPACK routines
* `-DHAVE_SCALAPACK`: enable ScaLAPACK routines (requires MPI)
* `-DHAVE_PSPBLAS`: enable pspBLAS routines (requires MPI, LAPACK and
ScaLAPACK)
* `-DHAVE_DBCSR`: enable DBCSR routines (requires DBCSR, MPI, LAPACK and
BLAS). You can download DBCSR from https://github.com/cp2k/dbcsr.
* `-DCONV`: enable automatic conversion of scalar types (real/complex) to
agree with matrix definitions (real/complex). Note that conversions from
complex to real will simply discard the imaginary part.
3. Type `make -f Makefile.manual`.
4. Type `make -f Makefile.manual install`.
Testing
-------
The `examples` directory contains a number of small programs that make use of
MatrixSwitch. These can be useful both for testing the installation and for
learning how to use the library. To compile them:
1. Enter the `examples` directory.
2. Copy `make.inc.example` to `make.inc` and modify it to suit your needs. Be
aware that `make.inc` in the `src` directory will also be used.
3. Type `make -f Makefile.manual`.
Each example contains a header explaining what the program does and providing
sample output to compare against.
Documentation
-------------
A complete documentation is maintained at: <http://esl.cecam.org/MatrixSwitch>.
Also see the examples in the `examples` directory.
#!/bin/sh
#
# Copyright (C) 2016 Yann Pouillon <notifications@materialsevolution.es>
#
# This file is part of MatrixSwitch.
#
# MatrixSwitch is free software: you can redistribute it and/or modify it under
# the terms of the GNU Lesser General Public License as published by the Free
# Software Foundation, version 3 of the License, or (at your option) any later
# version.
#
# MatrixSwitch is distributed in the hope that it will be useful, but WITHOUT
# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS
# FOR A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
# details.
#
# You should have received a copy of the GNU Lesser General Public License
# along with MatrixSwitch. If not, see <http://www.gnu.org/licenses/> or write
# to the Free Software Foundation, Inc., 51 Franklin St, Fifth Floor, Boston, MA
# 02110-1301 USA.
# Stop at first error encountered
set -e
# Check that we are in the right directory
if test ! -s "./configure.ac" -o ! -s "src/MatrixSwitch.F90"; then
echo "This is not a MatrixSwitch source tree - aborting now"
exit 1
fi
# Create possibly missing directories
mkdir -p config/gnu config/m4
# Generate M4 macros
#echo "Generating M4 macros..."
#echo "done."
# Generate makefiles
#echo "Generating makefiles..."
#echo "done."
# Generate libtool scripts
echo "Generating libtool scripts..."
my_libtoolize="libtoolize"
${my_libtoolize} --version >/dev/null 2>&1
if test "${?}" != "0"; then
my_libtoolize="glibtoolize"
fi
${my_libtoolize} --version >/dev/null 2>&1
if test "${?}" != "0"; then
echo "Error: could not find a working version of libtoolize" >&2
exit 1
fi
${my_libtoolize} --automake --copy --force
echo "done."
# Generate M4 includes
echo "Generating aclocal.m4..."
aclocal -I config/m4
echo "done."
# Generate configure auxiliary files
echo "Generating config.h.in..."
autoheader
echo "done."
# Generate configure
echo "Generating configure script..."
autoconf
echo "done."
# Generate makefile inputs
# Do not use "automake --force-missing", as it overwrites the INSTALL file.
echo "Generating Makefile.in for each directory..."
automake --add-missing --copy
echo "done."
%YAML 1.1
---
timestamp: "@msw_timestamp@"
target:
cpu: "@target_cpu@"
vendor: "@target_vendor@"
os: "@target_os@"
compilers:
CPP: "@CPP@"
CPPFLAGS: "@CPPFLAGS@"
CC: "@CC@"
MPICC: "@MPICC@"
CFLAGS: "@CFLAGS@"
FC: "@FC@"