From 52f12ef9e6122592661d38a5ab895617a58d32e5 Mon Sep 17 00:00:00 2001 From: Larry Hajali Date: Mon, 28 Jun 2010 10:32:02 -0400 Subject: academic/avogadro: Added (advanced molecular editor based on Qt 4) Signed-off-by: dsomero --- academic/avogadro/README | 7 +++ academic/avogadro/avogadro.SlackBuild | 89 +++++++++++++++++++++++++++++++++++ academic/avogadro/avogadro.info | 10 ++++ academic/avogadro/doinst.sh | 4 ++ academic/avogadro/slack-desc | 19 ++++++++ 5 files changed, 129 insertions(+) create mode 100644 academic/avogadro/README create mode 100644 academic/avogadro/avogadro.SlackBuild create mode 100644 academic/avogadro/avogadro.info create mode 100644 academic/avogadro/doinst.sh create mode 100644 academic/avogadro/slack-desc (limited to 'academic/avogadro') diff --git a/academic/avogadro/README b/academic/avogadro/README new file mode 100644 index 0000000000..feefa1d039 --- /dev/null +++ b/academic/avogadro/README @@ -0,0 +1,7 @@ +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. diff --git a/academic/avogadro/avogadro.SlackBuild b/academic/avogadro/avogadro.SlackBuild new file mode 100644 index 0000000000..5c84c6dc41 --- /dev/null +++ b/academic/avogadro/avogadro.SlackBuild @@ -0,0 +1,89 @@ +#!/bin/sh + +# Slackware build script for Avogadro + +# Written by Larry Hajali + +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} diff --git a/academic/avogadro/avogadro.info b/academic/avogadro/avogadro.info new file mode 100644 index 0000000000..469349c9cf --- /dev/null +++ b/academic/avogadro/avogadro.info @@ -0,0 +1,10 @@ +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" diff --git a/academic/avogadro/doinst.sh b/academic/avogadro/doinst.sh new file mode 100644 index 0000000000..4e8ba7071d --- /dev/null +++ b/academic/avogadro/doinst.sh @@ -0,0 +1,4 @@ +if [ -x /usr/bin/update-desktop-database ]; then + /usr/bin/update-desktop-database -q usr/share/applications >/dev/null 2>&1 +fi + diff --git a/academic/avogadro/slack-desc b/academic/avogadro/slack-desc new file mode 100644 index 0000000000..bda77bc176 --- /dev/null +++ b/academic/avogadro/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 ':'. + + |-----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: -- cgit v1.2.3