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-rw-r--r-- | academic/avogadro/README | 5 | ||||
-rw-r--r-- | academic/avogadro/avogadro.1 | 29 | ||||
-rw-r--r-- | academic/avogadro/avogadro.SlackBuild | 89 | ||||
-rw-r--r-- | academic/avogadro/avogadro.info | 10 | ||||
-rw-r--r-- | academic/avogadro/doinst.sh | 4 | ||||
-rw-r--r-- | academic/avogadro/slack-desc | 19 |
6 files changed, 156 insertions, 0 deletions
diff --git a/academic/avogadro/README b/academic/avogadro/README new file mode 100644 index 0000000000000..cc86a06205b19 --- /dev/null +++ b/academic/avogadro/README @@ -0,0 +1,5 @@ +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 and numpy. diff --git a/academic/avogadro/avogadro.1 b/academic/avogadro/avogadro.1 new file mode 100644 index 0000000000000..1d0be42620e9c --- /dev/null +++ b/academic/avogadro/avogadro.1 @@ -0,0 +1,29 @@ +.TH "AVOGADRO" "1" "22 January 2009" "" "User commands" + +.SH NAME +avogadro \- Molecular Graphics and Modelling System + +.SH SYNOPSIS +\fBavogadro\fR [\fBoptions\fR] [\fIfiles\fR] + +.SH DESCRIPTION +.PP +\fBavogadro\fR 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. + +.SH OPTIONS +.PP +Listed below are the command line options for \fBavogadro\fR: +.TP +.B \-\-help, \-h +Show help options. +.TP +.B \-\-version, \-v +Show version information. + +.SH AUTHOR +.PP +This manual page was written by Jordan Mantha <\&laserjock@ubuntu.com\&>. +.PP +Released under the GNU General Public License, version 2 or later. diff --git a/academic/avogadro/avogadro.SlackBuild b/academic/avogadro/avogadro.SlackBuild new file mode 100644 index 0000000000000..35665408e5ecb --- /dev/null +++ b/academic/avogadro/avogadro.SlackBuild @@ -0,0 +1,89 @@ +#!/bin/sh + +# Slackware build script for Avogadro + +# Written by Larry Hajali <larryhaja[at]gmail[dot]com> + +PRGNAM=avogadro +VERSION=${VERSION:-0.9.7} +ARCH=${ARCH:-i486} +BUILD=${BUILD:-1} +TAG=${TAG:-_SBo} + +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" +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 icon name in desktop menu item. +sed -i '/^Icon/s|=.*|=avogadro-icon.png|' avogadro/src/avogadro.desktop + +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 - + +# Remove file to prevent avogadro from segfaulting. +#rm -f $PKG/usr/share/libavogadro/extensionScripts/example.py + +( cd $PKG + find . | xargs file | grep "executable" | grep ELF | cut -f 1 -d : | \ + xargs strip --strip-unneeded 2> /dev/null || true + find . | xargs file | grep "shared object" | grep ELF | cut -f 1 -d : | \ + xargs strip --strip-unneeded 2> /dev/null +) + +mkdir -p $PKG/usr/man/man1 +install -m 0644 $CWD/$PRGNAM.1 $PKG/usr/man/man1/ +gzip -9 $PKG/usr/man/man?/*.? + +mkdir -p $PKG/usr/doc/$PRGNAM-$VERSION +cp -a \ + AUTHORS ChangeLog COPYING INSTALL cmake/modules/COPYING-CMAKE-SCRIPTS \ + avogadro/gl2ps/{COPYING*,TODO} \ + $PKG/usr/doc/$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 0000000000000..f37956de143bf --- /dev/null +++ b/academic/avogadro/avogadro.info @@ -0,0 +1,10 @@ +PRGNAM="avogadro" +VERSION="0.9.7" +HOMEPAGE="http://avogadro.openmolecules.net/wiki/Main_Page" +DOWNLOAD="http://downloads.sourceforge.net/avogadro/avogadro-0.9.7.tar.bz2" +MD5SUM="13234be4e2caa6017721b937a276cdd9" +DOWNLOAD_x86_64="" +MD5SUM_x86_64="" +MAINTAINER="Larry Hajali" +EMAIL="larryhaja[at]gmail[dot]com" +APPROVED="rworkman" diff --git a/academic/avogadro/doinst.sh b/academic/avogadro/doinst.sh new file mode 100644 index 0000000000000..4e8ba7071dea7 --- /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 0000000000000..bda77bc1762fd --- /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: |