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academic/avogadro: Added (advanced molecular editor based on Qt 4)
Signed-off-by: dsomero <xgizzmo@slackbuilds.org>
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5 changed files with 129 additions and 0 deletions
7
academic/avogadro/README
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7
academic/avogadro/README
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Avogadro is a molecular graphics and modelling system targeted at molecules
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and biomolecules. It can visualize properties like molecular orbitals or
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electrostatic potentials and features an intuitive molecular builder.
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This requires openbabel.
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Optionally numpy can be installed for python support.
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89
academic/avogadro/avogadro.SlackBuild
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academic/avogadro/avogadro.SlackBuild
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#!/bin/sh
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# Slackware build script for Avogadro
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# Written by Larry Hajali <larryhaja[at]gmail[dot]com>
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PRGNAM=avogadro
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VERSION=1.0.1
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BUILD=${BUILD:-1}
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TAG=${TAG:-_SBo}
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if [ -z "$ARCH" ]; then
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case "$( uname -m )" in
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i?86) ARCH=i486 ;;
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arm*) ARCH=arm ;;
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*) ARCH=$( uname -m ) ;;
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esac
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fi
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CWD=$(pwd)
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TMP=${TMP:-/tmp/SBo}
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PKG=$TMP/package-$PRGNAM
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OUTPUT=${OUTPUT:-/tmp}
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if [ "$ARCH" = "i486" ]; then
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SLKCFLAGS="-O2 -march=i486 -mtune=i686"
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LIBDIRSUFFIX=""
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elif [ "$ARCH" = "i686" ]; then
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SLKCFLAGS="-O2 -march=i686 -mtune=i686"
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LIBDIRSUFFIX=""
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elif [ "$ARCH" = "x86_64" ]; then
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SLKCFLAGS="-O2 -fPIC"
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LIBDIRSUFFIX="64"
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else
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SLKCFLAGS="-O2"
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LIBDIRSUFFIX=""
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fi
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set -e
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rm -rf $PKG
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mkdir -p $TMP $PKG $OUTPUT
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cd $TMP
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rm -rf $PRGNAM-$VERSION
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tar xvf $CWD/$PRGNAM-$VERSION.tar.bz2
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cd $PRGNAM-$VERSION
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chown -R root:root .
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find . \
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\( -perm 777 -o -perm 775 -o -perm 711 -o -perm 555 -o -perm 511 \) \
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-exec chmod 755 {} \; -o \
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\( -perm 666 -o -perm 664 -o -perm 600 -o -perm 444 -o -perm 440 -o -perm 400 \) \
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-exec chmod 644 {} \;
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# Fix manpage directory.
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sed -i 's|share/man|man|' doc/CMakeLists.txt
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mkdir build && cd build
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cmake \
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-DCMAKE_INSTALL_PREFIX=/usr \
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-DCMAKE_C_FLAGS:STRING="$SLKCFLAGS" \
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-DCMAKE_CXX_FLAGS:STRING="$SLKCFLAGS" \
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-DLIB_SUFFIX=${LIBDIRSUFFIX} \
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-DENABLE_RPATH=OFF \
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-DCMAKE_SKIP_RPATH=YES \
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-DENABLE_GLSL=ON \
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-DENABLE_UPDATE_CHECKER=OFF \
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-DCMAKE_BUILD_TYPE=Release ..
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make VERBOSE=1
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make install DESTDIR=$PKG
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cd -
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find $PKG | xargs file | grep -e "executable" -e "shared object" | grep ELF \
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| cut -f 1 -d : | xargs strip --strip-unneeded 2> /dev/null || true
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find $PKG/usr/man -type f -exec gzip -9 {} \;
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mkdir -p $PKG/usr/doc/$PRGNAM-$VERSION
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cp -a \
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AUTHORS ChangeLog COPYING INSTALL README avogadro/gl2ps/{COPYING*,*.txt} \
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$PKG/usr/doc/$PRGNAM-$VERSION
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cat $CWD/$PRGNAM.SlackBuild > $PKG/usr/doc/$PRGNAM-$VERSION/$PRGNAM.SlackBuild
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mkdir -p $PKG/install
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cat $CWD/slack-desc > $PKG/install/slack-desc
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cat $CWD/doinst.sh > $PKG/install/doinst.sh
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cd $PKG
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/sbin/makepkg -l y -c n $OUTPUT/$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.${PKGTYPE:-tgz}
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10
academic/avogadro/avogadro.info
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academic/avogadro/avogadro.info
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PRGNAM="avogadro"
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VERSION="1.0.1"
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HOMEPAGE="http://avogadro.openmolecules.net/wiki/Main_Page"
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DOWNLOAD="http://downloads.sourceforge.net/avogadro/avogadro-1.0.1.tar.bz2"
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MD5SUM="0d5c391197101f0aab7be6b59f81e6fd"
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DOWNLOAD_x86_64=""
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MD5SUM_x86_64=""
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MAINTAINER="Larry Hajali"
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EMAIL="larryhaja[at]gmail[dot]com"
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APPROVED="dsomero"
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4
academic/avogadro/doinst.sh
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4
academic/avogadro/doinst.sh
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if [ -x /usr/bin/update-desktop-database ]; then
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/usr/bin/update-desktop-database -q usr/share/applications >/dev/null 2>&1
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fi
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19
academic/avogadro/slack-desc
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19
academic/avogadro/slack-desc
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# HOW TO EDIT THIS FILE:
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# The "handy ruler" below makes it easier to edit a package description. Line
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# up the first '|' above the ':' following the base package name, and the '|' on
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# the right side marks the last column you can put a character in. You must make
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# exactly 11 lines for the formatting to be correct. It's also customary to
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# leave one space after the ':'.
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|-----handy-ruler------------------------------------------------------|
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avogadro: Avogadro (An advanced molecular editor based on Qt 4.)
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avogadro:
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avogadro: Avogadro is a molecular graphics and modelling system targetted at
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avogadro: molecules and biomolecules. It can visualize properties like
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avogadro: molecular orbitals or electrostatic potentials and features an
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avogadro: intuitive molecular builder.
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avogadro:
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avogadro: Homepage: http://avogadro.openmolecules.net/wiki/Main_Page
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avogadro:
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avogadro:
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avogadro:
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