academic/avogadro: Added (advanced molecular editor based on Qt 4)

Signed-off-by: dsomero <xgizzmo@slackbuilds.org>
This commit is contained in:
Larry Hajali 2010-06-28 10:32:02 -04:00 committed by dsomero
parent ff4594d335
commit 52f12ef9e6
5 changed files with 129 additions and 0 deletions

7
academic/avogadro/README Normal file
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Avogadro is a molecular graphics and modelling system targeted at molecules
and biomolecules. It can visualize properties like molecular orbitals or
electrostatic potentials and features an intuitive molecular builder.
This requires openbabel.
Optionally numpy can be installed for python support.

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#!/bin/sh
# Slackware build script for Avogadro
# Written by Larry Hajali <larryhaja[at]gmail[dot]com>
PRGNAM=avogadro
VERSION=1.0.1
BUILD=${BUILD:-1}
TAG=${TAG:-_SBo}
if [ -z "$ARCH" ]; then
case "$( uname -m )" in
i?86) ARCH=i486 ;;
arm*) ARCH=arm ;;
*) ARCH=$( uname -m ) ;;
esac
fi
CWD=$(pwd)
TMP=${TMP:-/tmp/SBo}
PKG=$TMP/package-$PRGNAM
OUTPUT=${OUTPUT:-/tmp}
if [ "$ARCH" = "i486" ]; then
SLKCFLAGS="-O2 -march=i486 -mtune=i686"
LIBDIRSUFFIX=""
elif [ "$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.bz2
cd $PRGNAM-$VERSION
chown -R root:root .
find . \
\( -perm 777 -o -perm 775 -o -perm 711 -o -perm 555 -o -perm 511 \) \
-exec chmod 755 {} \; -o \
\( -perm 666 -o -perm 664 -o -perm 600 -o -perm 444 -o -perm 440 -o -perm 400 \) \
-exec chmod 644 {} \;
# Fix manpage directory.
sed -i 's|share/man|man|' doc/CMakeLists.txt
mkdir build && cd build
cmake \
-DCMAKE_INSTALL_PREFIX=/usr \
-DCMAKE_C_FLAGS:STRING="$SLKCFLAGS" \
-DCMAKE_CXX_FLAGS:STRING="$SLKCFLAGS" \
-DLIB_SUFFIX=${LIBDIRSUFFIX} \
-DENABLE_RPATH=OFF \
-DCMAKE_SKIP_RPATH=YES \
-DENABLE_GLSL=ON \
-DENABLE_UPDATE_CHECKER=OFF \
-DCMAKE_BUILD_TYPE=Release ..
make VERBOSE=1
make install DESTDIR=$PKG
cd -
find $PKG | xargs file | grep -e "executable" -e "shared object" | grep ELF \
| cut -f 1 -d : | xargs strip --strip-unneeded 2> /dev/null || true
find $PKG/usr/man -type f -exec gzip -9 {} \;
mkdir -p $PKG/usr/doc/$PRGNAM-$VERSION
cp -a \
AUTHORS ChangeLog COPYING INSTALL README avogadro/gl2ps/{COPYING*,*.txt} \
$PKG/usr/doc/$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
cat $CWD/doinst.sh > $PKG/install/doinst.sh
cd $PKG
/sbin/makepkg -l y -c n $OUTPUT/$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.${PKGTYPE:-tgz}

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PRGNAM="avogadro"
VERSION="1.0.1"
HOMEPAGE="http://avogadro.openmolecules.net/wiki/Main_Page"
DOWNLOAD="http://downloads.sourceforge.net/avogadro/avogadro-1.0.1.tar.bz2"
MD5SUM="0d5c391197101f0aab7be6b59f81e6fd"
DOWNLOAD_x86_64=""
MD5SUM_x86_64=""
MAINTAINER="Larry Hajali"
EMAIL="larryhaja[at]gmail[dot]com"
APPROVED="dsomero"

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if [ -x /usr/bin/update-desktop-database ]; then
/usr/bin/update-desktop-database -q usr/share/applications >/dev/null 2>&1
fi

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# 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 ':'.
|-----handy-ruler------------------------------------------------------|
avogadro: Avogadro (An advanced molecular editor based on Qt 4.)
avogadro:
avogadro: Avogadro is a molecular graphics and modelling system targetted at
avogadro: molecules and biomolecules. It can visualize properties like
avogadro: molecular orbitals or electrostatic potentials and features an
avogadro: intuitive molecular builder.
avogadro:
avogadro: Homepage: http://avogadro.openmolecules.net/wiki/Main_Page
avogadro:
avogadro:
avogadro: