mirror of
https://github.com/arcan1s/pkgbuild.git
synced 2025-04-24 15:37:18 +00:00
Added qsmmp
This commit is contained in:
arcan1s
parent
03628c371c
commit
7937ce690b
41
discover/PKGBUILD
Normal file
41
discover/PKGBUILD
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@ -0,0 +1,41 @@
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# Maintainer: Evgeniy "arcanis" Alekseev <esalexeev@gmail.com>
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pkgname=discover
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pkgver=1554
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pkgrel=1
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pkgdesc="Contains a library and front-end program for retrieving information about a system's hardware."
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arch=('i686' 'x86_64')
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url="http://componentizedlinux.org/discover/"
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license=('GPL')
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depends=('curl' 'expat' 'check')
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makedepends=('cmake' 'subversion')
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_svntrunk="svn://anonscm.debian.org/svn/pkg-${pkgname}/${pkgname}/trunk/"
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_svnmod=discover
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build()
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{
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msg "Connecting to SVN server..."
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if [ -d "${_svnmod}/.svn" ]; then
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(cd ${_svnmod} && svn up -r ${pkgver})
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else
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svn co ${_svntrunk} --config-dir ./ -r ${pkgver} ${_svnmod}
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fi
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msg "SVN checkout done or server timeout"
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msg "Starting build..."
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cd ${srcdir}/${pkgname}
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./buildtools/setup
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./configure --prefix=/usr --enable-static=no
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# remove building docs
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sed -i "s|buildtools doctools portability etc doc scripts|\
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buildtools doctools portability etc scripts|g" Makefile
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make
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}
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package()
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{
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msg "done"
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cd ${srcdir}/${pkgname}
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make DESTDIR=${pkgdir} install
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}
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51
qmmp-qsmmp-git/PKGBUILD
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51
qmmp-qsmmp-git/PKGBUILD
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@ -0,0 +1,51 @@
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# Contributor: core <angrycore@gmail.com>
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# Maintainer Evgeniy "arcanis" Alekseev <esalexeev@gmail.com>
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pkgname=qmmp-qsmmp-git
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_pkgname=qmmp-qsmmp
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pkgver=20130914
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pkgrel=2
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pkgdesc="Amarok-like interface for qmmp. Git version."
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arch=('i686' 'x86_64')
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url="http://gitorious.org/qsmmp"
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license=('GPL2')
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depends=('qmmp' 'libqxt')
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makedepends=('git')
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install=${_pkgname}.install
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source=(${_pkgname}.desktop)
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md5sums=('c22490f772c753f2ed6e611317b8d8d4')
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_gitroot="git://gitorious.org/qsmmp/qsmmp.git"
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_gitname="qsmmp"
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build()
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{
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cd ${srcdir}
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msg "Connecting to GIT server..."
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if [[ -d ${_gitname} ]]; then
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cd ${_gitname} && git pull origin
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msg "The local files are updated"
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else
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git clone ${_gitroot} ${_gitname}
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fi
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msg "GIT checkout done or server timeout"
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msg "Starting build..."
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rm -rf ${srcdir}/${_gitname}-build
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cp -r ${srcdir}/${_gitname} ${srcdir}/${_gitname}-build
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cd ${srcdir}/${_gitname}-build
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msg "Checkout to qmmp-9999"
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git checkout origin/qmmp-9999
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msg "Fix bug with building"
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git reset --hard 3a477c0
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qmake-qt4 PREFIX=/usr -Wnone
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make || return 1
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}
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package()
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{
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cd ${srcdir}/${_gitname}-build
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make INSTALL_ROOT=${pkgdir} install || return 1
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install -D -m644 ${srcdir}/${_pkgname}.desktop $pkgdir/usr/share/applications/${_pkgname}.desktop || return 1
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}
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27
qmmp-qsmmp-git/qmmp-qsmmp.desktop
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27
qmmp-qsmmp-git/qmmp-qsmmp.desktop
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@ -0,0 +1,27 @@
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[Desktop Entry]
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X-Desktop-File-Install-Version=0.11
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Name=Qmmp-qsmmp
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Comment=Qt4-based Multimedia Player
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Comment[ru]=Медиа-проигрыватель на базе Qt4
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Comment[uk]=Медіа-програвач на базі Qt4
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Comment[cs]=Přehrávač hudby založený na Qt
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Comment[tr]=Qt4 tabanlı Çokluortam Oynatıcı
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Comment[de]=Qt4-basierter Audio-Player
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Comment[zh_CN]=基于Qt4的多媒体播放器
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Comment[zh_TW]=基于Qt4的多媒體播放器
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GenericName=Audio player
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GenericName[cs]=Přehrávač hudby
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GenericName[de]=Audio-Player
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GenericName[ru]=Аудио-проигрыватель
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GenericName[uk]=Медіа-програвач
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GenericName[tr]=Ses Oynatıcı
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GenericName[zh_CN]=音乐播放器
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GenericName[zh_TW]=音樂播放器
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Exec=qmmp-qsmmp %F
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Icon=qmmp
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Terminal=false
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Type=Application
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Categories=AudioVideo;Player;Audio;Qt;
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MimeType=application/x-ogg;audio/mp3;audio/mpeg;audio/x-flac;audio/x-mp3;audio/x-mpeg;audio/x-ms-wma;audio/x-musepack;application/ogg;audio/x-vorbis+ogg;audio/x-scpls;audio/x-mpegurl;audio/x-it;audio/x-mod;audio/x-ape;application/x-cue;inode/directory;
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X-KDE-StartupNotify=false
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11
qmmp-qsmmp-git/qmmp-qsmmp.install
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11
qmmp-qsmmp-git/qmmp-qsmmp.install
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@ -0,0 +1,11 @@
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post_install() {
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which xdg-icon-resource 1>/dev/null 2>/dev/null && xdg-icon-resource forceupdate || true
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}
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post_upgrade() {
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post_install $1
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}
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post_remove() {
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post_install $1
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}
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55
quantum-espresso-gpu/PKGBUILD
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55
quantum-espresso-gpu/PKGBUILD
Normal file
@ -0,0 +1,55 @@
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# Maintainer: Evgeniy "arcanis" Alekseev <esalexeev@gmail.com>
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pkgname=quantum-espresso-gpu-svn
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pkgver=216
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pkgrel=1
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pkgdesc="Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. Version with GPU acceleration"
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arch=('any')
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url="http://qe-forge.org/gf/project/q-e-gpu/"
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license=('GPLv2')
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makedepends=('gcc-fortran' 'blas' 'lapack' 'fftw' 'cuda')
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depends=('quantum-espresso')
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source=(http://qe-forge.org/gf/download/frsrelease/142/452/QE-5.0.2_GPU-r${pkgver}.patch)
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md5sums=('fc74bc210db6c2d88fd8a5f444aab447')
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_qetrunk="http://qeforge.qe-forge.org/svn/q-e/trunk/espresso"
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_qemod=espresso
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_qerev=10452
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_svntrunk="http://qeforge.qe-forge.org/svn/q-e-gpu/trunk/GPU"
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_svnmod=GPU
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build()
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{
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msg "Connecting to QE SVN server..."
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if [ -d "${_qetrunk}/.svn" ]; then
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(cd ${_qemod} && svn up -r ${_qerev})
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else
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svn co ${_qetrunk} -r ${_qerev} ${_qemod} --username=anonymous --password=""
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fi
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msg "Connecting to QE-GPU SVN server..."
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if [ -d "${srcdir}/${_qemod}/${_svnmod}/.svn" ]; then
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(cd ${srcdir}/${_qemod}/${_svnmod} && svn up -r ${pkgver})
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else
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svn co ${_svntrunk} -r ${pkgver} ${srcdir}/${_qemod}/${_svnmod} --username=anonymous --password=""
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fi
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# build qe
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cd ${srcdir}/${_qemod}/
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./configure
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make all
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# build qe-gpu
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cd ${srcdir}/${_qemod}/${_svnmod}/
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./configure --enable-cuda --with-gpu-arch=35 --with-cuda-dir=/opt/cuda \
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--enable-magma --enable-parallel
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cd ${srcdir}/${_qemod}/
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sed -i "s/python/python2/g" Makefile.gpu
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make -f Makefile.gpu all-gpu
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}
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package()
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{
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msg "done"
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}
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42
quantum-espresso-gpu/PKGBUILD--
Normal file
42
quantum-espresso-gpu/PKGBUILD--
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# Maintainer: Evgeniy "arcanis" Alekseev <esalexeev@gmail.com>
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pkgname=quantum-espresso-gpu
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pkgver=216
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_qever=5.0.2
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pkgrel=1
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pkgdesc="Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. Version with GPU acceleration"
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arch=('any')
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url="http://qe-forge.org/gf/project/q-e-gpu/"
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license=('GPLv2')
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makedepends=('gcc-fortran' 'blas' 'lapack' 'fftw' 'cuda')
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depends=('quantum-espresso')
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source=(http://qe-forge.org/gf/download/frsrelease/135/453/QE-GPU-r${pkgver}.tar.gz
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http://qe-forge.org/gf/download/frsrelease/116/403/espresso-${_qever}.tar.gz
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http://qe-forge.org/gf/download/frsrelease/142/452/QE-5.0.2_GPU-r${pkgver}.patch)
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md5sums=('8fdff7841ed54c6ff1a5f501d2b0ca8f'
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||||
'd8b0d7ac3ddbfe0a656ec1501a2a4688'
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'fc74bc210db6c2d88fd8a5f444aab447')
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build()
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{
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cd ${srcdir}/espresso-${_qever}
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./configure
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make all
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if [ -d ${srcdir}/espresso-${_qever}/GPU ]; then
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rm -rf ${srcdir}/espresso-${_qever}/GPU
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fi
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mv ${srcdir}/GPU ${srcdir}/espresso-${_qever}/GPU
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cd ${srcdir}/espresso-${_qever}/GPU
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./configure --enable-cuda --with-gpu-arch=35 --with-cuda-dir=/opt/cuda \
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--enable-magma --enable-parallel
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cd ${srcdir}/espresso-${_qever}/
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sed -i "s/python/python2/g" Makefile.gpu
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make -f Makefile.gpu all-gpu
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}
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package()
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{
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msg "done"
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}
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265
quantum-espresso-gpu/QE-5.0.2_GPU-r216.patch
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265
quantum-espresso-gpu/QE-5.0.2_GPU-r216.patch
Normal file
@ -0,0 +1,265 @@
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diff -uNr espresso-5.0.2/Modules/mp.f90 espresso-5.0.2-GPU/Modules/mp.f90
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--- espresso-5.0.2/Modules/mp.f90 2013-05-31 14:19:32.000000000 +0100
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+++ espresso-5.0.2-GPU/Modules/mp.f90 2013-05-31 14:24:52.054367809 +0100
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@@ -159,6 +159,10 @@
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IF (ierr/=0) CALL mp_stop( 8006 )
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# endif
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+#if defined(__CUDA) || defined(__PHIGEMM )
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+ CALL InitCudaEnv()
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+#endif
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+
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RETURN
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END SUBROUTINE mp_start
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!
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@@ -172,6 +176,10 @@
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ierr = 0
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taskid = 0
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+#if defined(__CUDA) || defined(__PHIGEMM )
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+ CALL CloseCudaEnv()
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+#endif
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+
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#if defined __HPM
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! terminate the IBM Harware performance monitor
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diff -uNr espresso-5.0.2/PW/src/addusdens.f90 espresso-5.0.2-GPU/PW/src/addusdens.f90
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--- espresso-5.0.2/PW/src/addusdens.f90 2013-05-31 14:19:32.000000000 +0100
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+++ espresso-5.0.2-GPU/PW/src/addusdens.f90 2013-05-31 14:30:03.720305082 +0100
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@@ -1,5 +1,5 @@
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!
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-! Copyright (C) 2001-2006 Quantum ESPRESSO group
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+! Copyright (C) 2001-2013 Quantum ESPRESSO group
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||||
! This file is distributed under the terms of the
|
||||
! GNU General Public License. See the file `License'
|
||||
! in the root directory of the present distribution,
|
||||
@@ -24,7 +24,11 @@
|
||||
IF ( tqr ) THEN
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CALL addusdens_r(rho,.true.)
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ELSE
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+#if defined(__CUDA) && !defined(__DISABLE_CUDA_ADDUSDENS)
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+ CALL addusdens_g_gpu(rho)
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+#else
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||||
CALL addusdens_g(rho)
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+#endif
|
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END IF
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!
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||||
RETURN
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diff -uNr espresso-5.0.2/PW/src/cdiaghg.f90 espresso-5.0.2-GPU/PW/src/cdiaghg.f90
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||||
--- espresso-5.0.2/PW/src/cdiaghg.f90 2013-05-31 14:19:32.000000000 +0100
|
||||
+++ espresso-5.0.2-GPU/PW/src/cdiaghg.f90 2013-05-31 14:29:38.584367860 +0100
|
||||
@@ -1,5 +1,5 @@
|
||||
!
|
||||
-! Copyright (C) 2001-2006 Quantum ESPRESSO group
|
||||
+! Copyright (C) 2001-2013 Quantum ESPRESSO group
|
||||
! This file is distributed under the terms of the
|
||||
! GNU General Public License. See the file `License'
|
||||
! in the root directory of the present distribution,
|
||||
@@ -17,6 +17,33 @@
|
||||
! ... Hv=eSv, with H hermitean matrix, S overlap matrix.
|
||||
! ... On output both matrix are unchanged
|
||||
!
|
||||
+ USE kinds, ONLY : DP
|
||||
+ !
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||||
+ IMPLICIT NONE
|
||||
+ !
|
||||
+ INTEGER, INTENT(IN) :: n, m, ldh
|
||||
+ COMPLEX(DP), INTENT(INOUT) :: h(ldh,n), s(ldh,n)
|
||||
+ REAL(DP), INTENT(OUT) :: e(n)
|
||||
+ COMPLEX(DP), INTENT(OUT) :: v(ldh,m)
|
||||
+ !
|
||||
+#if defined(__CUDA) && defined(__MAGMA)
|
||||
+ CALL cdiaghg_gpu( n, m, h, s, ldh, e, v )
|
||||
+#else
|
||||
+ CALL cdiaghg_compute( n, m, h, s, ldh, e, v )
|
||||
+#endif
|
||||
+ !
|
||||
+ RETURN
|
||||
+ !
|
||||
+END SUBROUTINE cdiaghg
|
||||
+
|
||||
+!----------------------------------------------------------------------------
|
||||
+SUBROUTINE cdiaghg_compute( n, m, h, s, ldh, e, v )
|
||||
+ !----------------------------------------------------------------------------
|
||||
+ !
|
||||
+ ! ... calculates eigenvalues and eigenvectors of the generalized problem
|
||||
+ ! ... Hv=eSv, with H hermitean matrix, S overlap matrix.
|
||||
+ ! ... On output both matrix are unchanged
|
||||
+ !
|
||||
! ... LAPACK version - uses both ZHEGV and ZHEGVX
|
||||
!
|
||||
USE kinds, ONLY : DP
|
||||
@@ -187,7 +214,7 @@
|
||||
!
|
||||
RETURN
|
||||
!
|
||||
-END SUBROUTINE cdiaghg
|
||||
+END SUBROUTINE cdiaghg_compute
|
||||
!
|
||||
!----------------------------------------------------------------------------
|
||||
SUBROUTINE pcdiaghg( n, h, s, ldh, e, v, desc )
|
||||
diff -uNr espresso-5.0.2/PW/src/newd.f90 espresso-5.0.2-GPU/PW/src/newd.f90
|
||||
--- espresso-5.0.2/PW/src/newd.f90 2013-05-31 14:19:32.000000000 +0100
|
||||
+++ espresso-5.0.2-GPU/PW/src/newd.f90 2013-05-31 14:28:51.751391724 +0100
|
||||
@@ -1,5 +1,5 @@
|
||||
!
|
||||
-! Copyright (C) 2001-2010 Quantum ESPRESSO group
|
||||
+! Copyright (C) 2001-2013 Quantum ESPRESSO group
|
||||
! This file is distributed under the terms of the
|
||||
! GNU General Public License. See the file `License'
|
||||
! in the root directory of the present distribution,
|
||||
@@ -10,12 +10,41 @@
|
||||
|
||||
CONTAINS
|
||||
!---------------------------------------
|
||||
+
|
||||
SUBROUTINE newq(vr,deeq,skip_vltot)
|
||||
!
|
||||
! This routine computes the integral of the perturbed potential with
|
||||
! the Q function
|
||||
!
|
||||
USE kinds, ONLY : DP
|
||||
+ USE fft_base, ONLY : dfftp
|
||||
+ USE ions_base, ONLY : nat
|
||||
+ USE lsda_mod, ONLY : nspin
|
||||
+ USE uspp_param, ONLY : nhm
|
||||
+ !
|
||||
+ IMPLICIT NONE
|
||||
+ !
|
||||
+ ! Input: potential , output: contribution to integral
|
||||
+ REAL(kind=dp), intent(in) :: vr(dfftp%nnr,nspin)
|
||||
+ REAL(kind=dp), intent(inout) :: deeq( nhm, nhm, nat, nspin )
|
||||
+ LOGICAL, intent(in) :: skip_vltot
|
||||
+ !
|
||||
+#if defined(__CUDA) && !defined(__DISABLE_CUDA_NEWD)
|
||||
+ CALL newq_compute_gpu(vr,deeq,skip_vltot)
|
||||
+#else
|
||||
+ CALL newq_compute(vr,deeq,skip_vltot)
|
||||
+#endif
|
||||
+ !
|
||||
+ RETURN
|
||||
+
|
||||
+END SUBROUTINE newq
|
||||
+
|
||||
+SUBROUTINE newq_compute(vr,deeq,skip_vltot)
|
||||
+ !
|
||||
+ ! This routine computes the integral of the perturbed potential with
|
||||
+ ! the Q function
|
||||
+ !
|
||||
+ USE kinds, ONLY : DP
|
||||
USE ions_base, ONLY : nat, ntyp => nsp, ityp
|
||||
USE cell_base, ONLY : omega
|
||||
USE fft_base, ONLY : dfftp
|
||||
@@ -176,7 +205,7 @@
|
||||
!
|
||||
DEALLOCATE( aux, qgm, qmod, ylmk0 )
|
||||
!
|
||||
-END SUBROUTINE newq
|
||||
+END SUBROUTINE newq_compute
|
||||
!---------------------------------------
|
||||
SUBROUTINE newd()
|
||||
USE uspp, ONLY : deeq
|
||||
diff -uNr espresso-5.0.2/PW/src/pwscf.f90 espresso-5.0.2-GPU/PW/src/pwscf.f90
|
||||
--- espresso-5.0.2/PW/src/pwscf.f90 2013-05-31 14:19:32.000000000 +0100
|
||||
+++ espresso-5.0.2-GPU/PW/src/pwscf.f90 2013-05-31 14:25:31.013375854 +0100
|
||||
@@ -36,13 +36,13 @@
|
||||
!
|
||||
CHARACTER(len=256) :: dirname
|
||||
!
|
||||
-#ifdef __MPI
|
||||
- !
|
||||
+
|
||||
CALL mp_startup ( )
|
||||
! reset IO nodes
|
||||
! (do this to make each "image head node" an ionode)
|
||||
! Has to be used ONLY to run nimage copies of pwscf
|
||||
!
|
||||
+#ifdef __MPI
|
||||
IF ( nimage > 1 ) CALL io_image_start( )
|
||||
#endif
|
||||
CALL environment_start ( 'PWSCF' )
|
||||
diff -uNr espresso-5.0.2/PW/src/rdiaghg.f90 espresso-5.0.2-GPU/PW/src/rdiaghg.f90
|
||||
--- espresso-5.0.2/PW/src/rdiaghg.f90 2013-05-31 14:19:32.000000000 +0100
|
||||
+++ espresso-5.0.2-GPU/PW/src/rdiaghg.f90 2013-05-31 14:27:59.078331418 +0100
|
||||
@@ -1,5 +1,5 @@
|
||||
!
|
||||
-! Copyright (C) 2003-2006 Quantum ESPRESSO group
|
||||
+! Copyright (C) 2003-2013 Quantum ESPRESSO group
|
||||
! This file is distributed under the terms of the
|
||||
! GNU General Public License. See the file `License'
|
||||
! in the root directory of the present distribution,
|
||||
@@ -14,6 +14,33 @@
|
||||
! ... Hv=eSv, with H symmetric matrix, S overlap matrix.
|
||||
! ... On output both matrix are unchanged
|
||||
!
|
||||
+ USE kinds, ONLY : DP
|
||||
+ !
|
||||
+ IMPLICIT NONE
|
||||
+ !
|
||||
+ INTEGER, INTENT(IN) :: n, m, ldh
|
||||
+ REAL(DP), INTENT(INOUT) :: h(ldh,n), s(ldh,n)
|
||||
+ REAL(DP), INTENT(OUT) :: e(n)
|
||||
+ REAL(DP), INTENT(OUT) :: v(ldh,m)
|
||||
+ !
|
||||
+#if defined(__CUDA) && defined(__MAGMA)
|
||||
+ CALL rdiaghg_gpu( n, m, h, s, ldh, e, v )
|
||||
+#else
|
||||
+ CALL rdiaghg_compute( n, m, h, s, ldh, e, v )
|
||||
+#endif
|
||||
+ !
|
||||
+ RETURN
|
||||
+ !
|
||||
+END SUBROUTINE rdiaghg
|
||||
+
|
||||
+!----------------------------------------------------------------------------
|
||||
+SUBROUTINE rdiaghg_compute( n, m, h, s, ldh, e, v )
|
||||
+ !----------------------------------------------------------------------------
|
||||
+ !
|
||||
+ ! ... calculates eigenvalues and eigenvectors of the generalized problem
|
||||
+ ! ... Hv=eSv, with H symmetric matrix, S overlap matrix.
|
||||
+ ! ... On output both matrix are unchanged
|
||||
+ !
|
||||
! ... LAPACK version - uses both DSYGV and DSYGVX
|
||||
!
|
||||
USE kinds, ONLY : DP
|
||||
@@ -169,7 +196,7 @@
|
||||
!
|
||||
RETURN
|
||||
!
|
||||
-END SUBROUTINE rdiaghg
|
||||
+END SUBROUTINE rdiaghg_compute
|
||||
!
|
||||
!----------------------------------------------------------------------------
|
||||
SUBROUTINE prdiaghg( n, h, s, ldh, e, v, desc )
|
||||
diff -uNr espresso-5.0.2/PW/src/vloc_psi.f90 espresso-5.0.2-GPU/PW/src/vloc_psi.f90
|
||||
--- espresso-5.0.2/PW/src/vloc_psi.f90 2013-05-31 14:19:32.000000000 +0100
|
||||
+++ espresso-5.0.2-GPU/PW/src/vloc_psi.f90 2013-05-31 14:27:27.759367967 +0100
|
||||
@@ -1,5 +1,5 @@
|
||||
!
|
||||
-! Copyright (C) 2003-2009 PWSCF group
|
||||
+! Copyright (C) 2003-2013 PWSCF group
|
||||
! This file is distributed under the terms of the
|
||||
! GNU General Public License. See the file `License'
|
||||
! in the root directory of the present distribution,
|
||||
@@ -37,6 +37,10 @@
|
||||
COMPLEX(DP), ALLOCATABLE :: tg_psic(:)
|
||||
INTEGER :: v_siz, idx, ioff
|
||||
!
|
||||
+#if (defined(__CUDA) && !defined(__DISABLE_CUDA_VLOCPSI) && !defined(__PARA)) || (defined(__CUDA) && !defined(__DISABLE_CUDA_VLOCPSI) && defined(__PARA) && defined(__USE_3D_FFT))
|
||||
+ CALL vloc_psi_gamma_gpu ( lda, n, m, psi, v, hpsi )
|
||||
+ RETURN
|
||||
+#endif
|
||||
!
|
||||
incr = 2
|
||||
!
|
||||
@@ -222,6 +226,10 @@
|
||||
COMPLEX(DP), ALLOCATABLE :: tg_psic(:)
|
||||
INTEGER :: v_siz, idx, ioff
|
||||
!
|
||||
+#if (defined(__CUDA) && !defined(__DISABLE_CUDA_VLOCPSI) && !defined(__PARA)) || (defined(__CUDA) && !defined(__DISABLE_CUDA_VLOCPSI) && defined(__PARA) && defined(__USE_3D_FFT))
|
||||
+ CALL vloc_psi_k_gpu ( lda, n, m, psi, v, hpsi )
|
||||
+ RETURN
|
||||
+#endif
|
||||
!
|
||||
! The following is dirty trick to prevent usage of task groups if
|
||||
! the number of bands is smaller than the number of task groups
|
||||
Loading…
Reference in New Issue
Block a user