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author Larry Hajali2010-06-28 16:32:02 +0200
committer dsomero2010-06-28 16:32:02 +0200
commit52f12ef9e6122592661d38a5ab895617a58d32e5 (patch)
tree2716034c7a5b43f202d2bd8d827b563cca80bb56 /academic
parentff4594d3350e0e86659eac7aec126a017187ee30 (diff)
downloadslackbuilds-52f12ef9e6122592661d38a5ab895617a58d32e5.tar.gz
academic/avogadro: Added (advanced molecular editor based on Qt 4)
Signed-off-by: dsomero <xgizzmo@slackbuilds.org>
Diffstat (limited to 'academic')
-rw-r--r--academic/avogadro/README7
-rw-r--r--academic/avogadro/avogadro.SlackBuild89
-rw-r--r--academic/avogadro/avogadro.info10
-rw-r--r--academic/avogadro/doinst.sh4
-rw-r--r--academic/avogadro/slack-desc19
5 files changed, 129 insertions, 0 deletions
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 <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}
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: