From 769d12150d7b1947724508eee855228a42c46075 Mon Sep 17 00:00:00 2001 From: William PC Date: Sat, 1 Oct 2022 08:33:44 +0700 Subject: libraries/dbcsr: Added (Distributed Block Row matrix library). Signed-off-by: Willy Sudiarto Raharjo --- libraries/dbcsr/README | 12 ++++ libraries/dbcsr/dbcsr.SlackBuild | 122 +++++++++++++++++++++++++++++++++++++++ libraries/dbcsr/dbcsr.info | 10 ++++ libraries/dbcsr/slack-desc | 19 ++++++ 4 files changed, 163 insertions(+) create mode 100644 libraries/dbcsr/README create mode 100644 libraries/dbcsr/dbcsr.SlackBuild create mode 100644 libraries/dbcsr/dbcsr.info create mode 100644 libraries/dbcsr/slack-desc diff --git a/libraries/dbcsr/README b/libraries/dbcsr/README new file mode 100644 index 0000000000..6f8f02d0da --- /dev/null +++ b/libraries/dbcsr/README @@ -0,0 +1,12 @@ + DBCSR is a library designed to efficiently perform sparse +matrix-matrix multiplication, among other operations. + It is MPI and OpenMP parallel and can exploit Nvidia and AMD GPUs via +CUDA and HIP. + DBCSR was developed as a part of CP2K, where it provides core +functionality for linear scaling electronic structure theory. It is +now released as a standalone library for integration in other projects. + +This requires a MPI implementation, however the package isn't working +with mpich. Use openmpi instead. + +* HIP and OpenCL still experimental diff --git a/libraries/dbcsr/dbcsr.SlackBuild b/libraries/dbcsr/dbcsr.SlackBuild new file mode 100644 index 0000000000..2e661a3616 --- /dev/null +++ b/libraries/dbcsr/dbcsr.SlackBuild @@ -0,0 +1,122 @@ +#!/bin/bash + +# Slackware build script for dbcsr + +# Copyright 2022 William PC (Slack-it)- Seattle, USA +# All rights reserved. +# +# Redistribution and use of this script, with or without modification, is +# permitted provided that the following conditions are met: +# +# 1. Redistributions of this script must retain the above copyright +# notice, this list of conditions and the following disclaimer. +# +# THIS SOFTWARE IS PROVIDED BY THE AUTHOR "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 AUTHOR 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. + +cd $(dirname $0) ; CWD=$(pwd) + +PRGNAM=dbcsr +VERSION=${VERSION:-2.2.0} +BUILD=${BUILD:-1} +TAG=${TAG:-_SBo} +PKGTYPE=${PKGTYPE:-tgz} + +SRCNAM="$(printf $PRGNAM | cut -d- -f2-)" + +if [ -z "$ARCH" ]; then + case "$( uname -m )" in + i?86) ARCH=i586 ;; + arm*) ARCH=arm ;; + *) ARCH=$( uname -m ) ;; + esac +fi + +# If the variable PRINT_PACKAGE_NAME is set, then this script will report what +# the name of the created package would be, and then exit. This information +# could be useful to other scripts. +if [ ! -z "${PRINT_PACKAGE_NAME}" ]; then + echo "$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.$PKGTYPE" + exit 0 +fi + +TMP=${TMP:-/tmp/SBo} +PKG=$TMP/package-$PRGNAM +OUTPUT=${OUTPUT:-/tmp} + +if [ "$ARCH" = "i586" ]; then + SLKCFLAGS="-O2 -march=i586 -mtune=i686" + LIBDIRSUFFIX="" +elif [ "$ARCH" = "i686" ]; then + SLKCFLAGS="-O2 -march=i686 -mtune=i686" + LIBDIRSUFFIX="" +elif [ "$ARCH" = "x86_64" ]; then + SLKCFLAGS="-O2 -fPIC" + LIBDIRSUFFIX="64" +else + SLKCFLAGS="-O2" + LIBDIRSUFFIX="" +fi + +set -e + +rm -rf $PKG +mkdir -p $TMP $PKG $OUTPUT +cd $TMP +rm -rf $PRGNAM-$VERSION +tar xvf $CWD/$PRGNAM-$VERSION.tar.gz +cd $PRGNAM-$VERSION + +chown -R root:root . +find -L . \ + \( -perm 777 -o -perm 775 -o -perm 750 -o -perm 711 -o -perm 555 \ + -o -perm 511 \) -exec chmod 755 {} \; -o \ + \( -perm 666 -o -perm 664 -o -perm 640 -o -perm 600 -o -perm 444 \ + -o -perm 440 -o -perm 400 \) -exec chmod 644 {} \; + + +mkdir build +cd build + + cmake \ + -DCMAKE_C_FLAGS:STRING="$SLKCFLAGS" \ + -DCMAKE_CXX_FLAGS:STRING="$SLKCFLAGS" \ + -DCMAKE_INSTALL_PREFIX=/usr \ + -DCMAKE_BUILD_TYPE=Release .. + +make +make install DESTDIR=$PKG + +# Don't ship .la files: +rm -f $PKG/{,usr/}lib${LIBDIRSUFFIX}/*.la + +find $PKG -print0 | xargs -0 file | grep -e "executable" -e "shared object" | grep ELF \ + | cut -f 1 -d : | xargs strip --strip-unneeded 2> /dev/null || true + + +mkdir -p $PKG/usr/share/$PRGNAM-$VERSION +cp -aR ../examples ../tools \ + $PKG/usr/share/$PRGNAM-$VERSION + +mkdir -p $PKG/usr/doc/$PRGNAM-$VERSION +cp -a ../{AUTHORS,CONTRIBUTING.md,DBCSR.md,LICENSE,README.md,VERSION} \ + $PKG/usr/doc/$PRGNAM-$VERSION +cp -aR ../docs/guide \ + $PKG/usr/doc/$PRGNAM-$VERSION + + +cat $CWD/$PRGNAM.SlackBuild > $PKG/usr/doc/$PRGNAM-$VERSION/$PRGNAM.SlackBuild + +mkdir -p $PKG/install +cat $CWD/slack-desc > $PKG/install/slack-desc + +cd $PKG +/sbin/makepkg -l y -c n $OUTPUT/$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.$PKGTYPE diff --git a/libraries/dbcsr/dbcsr.info b/libraries/dbcsr/dbcsr.info new file mode 100644 index 0000000000..accc833f18 --- /dev/null +++ b/libraries/dbcsr/dbcsr.info @@ -0,0 +1,10 @@ +PRGNAM="dbcsr" +VERSION="2.2.0" +HOMEPAGE="https://github.com/cp2k/dbcsr" +DOWNLOAD="https://github.com/cp2k/dbcsr/archive/v2.2.0/dbcsr-2.2.0.tar.gz" +MD5SUM="25bf0021c98d56fd81eeb2690715551f" +DOWNLOAD_x86_64="" +MD5SUM_x86_64="" +REQUIRES="blas lapack openmpi python3-fypp" +MAINTAINER="William PC" +EMAIL="w_calandrini[at]hotmail[dot]com" diff --git a/libraries/dbcsr/slack-desc b/libraries/dbcsr/slack-desc new file mode 100644 index 0000000000..7695a594ed --- /dev/null +++ b/libraries/dbcsr/slack-desc @@ -0,0 +1,19 @@ +# HOW TO EDIT THIS FILE: +# The "handy ruler" below makes it easier to edit a package description. +# Line up the first '|' above the ':' following the base package name, and +# the '|' on the right side marks the last column you can put a character in. +# You must make exactly 11 lines for the formatting to be correct. It's also +# customary to leave one space after the ':' except on otherwise blank lines. + + |-----handy-ruler------------------------------------------------------| +dbcsr: dbcsr (Distributed Block Compressed Sparse Row matrix library) +dbcsr: +dbcsr: DBCSR is a library designed to efficiently perform sparse +dbcsr: matrix-matrix multiplication, among other operations. It is MPI and +dbcsr: OpenMP parallel and can exploit Nvidia and AMD GPUs via CUDA and HIP. +dbcsr: +dbcsr: +dbcsr: +dbcsr: +dbcsr: +dbcsr: -- cgit v1.2.3