diff options
author | Giancarlo Dessì <slack@giand.it> | 2022-04-09 00:46:05 +0100 |
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committer | Willy Sudiarto Raharjo <willysr@slackbuilds.org> | 2022-04-09 15:45:56 +0700 |
commit | 4754d8ddf24d9a20c9e81aaccd19092dcc064bf0 (patch) | |
tree | b9a253fdc57778228ee52140eccd32501018469d | |
parent | 4bc7a47b76b244cbfbac0a3d583df06cdc9ac41a (diff) |
academic/Gabedit: Added (Graphical UI to computational chemistry)
Signed-off-by: Dave Woodfall <dave@slackbuilds.org>
Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>
-rw-r--r-- | academic/Gabedit/Gabedit.SlackBuild | 123 | ||||
-rw-r--r-- | academic/Gabedit/Gabedit.info | 10 | ||||
-rw-r--r-- | academic/Gabedit/README | 8 | ||||
-rw-r--r-- | academic/Gabedit/doinst.sh | 19 | ||||
-rw-r--r-- | academic/Gabedit/slack-desc | 19 |
5 files changed, 179 insertions, 0 deletions
diff --git a/academic/Gabedit/Gabedit.SlackBuild b/academic/Gabedit/Gabedit.SlackBuild new file mode 100644 index 0000000000000..0fbdebc116f32 --- /dev/null +++ b/academic/Gabedit/Gabedit.SlackBuild @@ -0,0 +1,123 @@ +#!/bin/bash + +# Slackware build script for Gabedit + +# Copyright 2022 Giancarlo Dessì, Cagliari, IT +# All rights reserved. +# +# Redistribution and use of this script, with or without modification, is +# permitted provided that the following conditions are met: +# +# 1. Redistributions of this script must retain the above copyright +# notice, this list of conditions and the following disclaimer. +# +# THIS SOFTWARE IS PROVIDED BY THE AUTHOR "AS IS" AND ANY EXPRESS OR IMPLIED +# WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF +# MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO +# EVENT SHALL THE AUTHOR BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, +# SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, +# PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; +# OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, +# WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR +# OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF +# ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. + +cd $(dirname $0) ; CWD=$(pwd) + +PRGNAM=Gabedit +VERSION=${VERSION:-2.5.1} +BUILD=${BUILD:-1} +TAG=${TAG:-_SBo} +PKGTYPE=${PKGTYPE:-tgz} +SRCNAM=GabeditSrc +SRCVER=$( echo ${VERSION} | tr -d . ) + +if [ -z "$ARCH" ]; then + case "$( uname -m )" in + i?86) ARCH=i586 ;; + arm*) ARCH=arm ;; + *) ARCH=$( uname -m ) ;; + esac +fi + +if [ ! -z "${PRINT_PACKAGE_NAME}" ]; then + echo "$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.$PKGTYPE" + exit 0 +fi + +TMP=${TMP:-/tmp/SBo} +PKG=$TMP/package-$PRGNAM +OUTPUT=${OUTPUT:-/tmp} + +if [ "$ARCH" = "i586" ]; then + SLKCFLAGS="-O2 -march=i586 -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 $SRCNAM$SRCVER +tar xvf $CWD/$SRCNAM$SRCVER.tar.gz +cd $SRCNAM$SRCVER +chown -R root:root . +find -L . \ + \( -perm 777 -o -perm 775 -o -perm 750 -o -perm 711 -o -perm 555 \ + -o -perm 511 \) -exec chmod 755 {} \; -o \ + \( -perm 666 -o -perm 664 -o -perm 640 -o -perm 600 -o -perm 444 \ + -o -perm 440 -o -perm 400 \) -exec chmod 644 {} \; + +make + +# The source has not an installing process: the build creates only an executable +# binary file in the current directory, so we have todo manually a minimal install +# process + +#Install the executable file +mkdir -p $PKG/usr/bin +cp -av ./gabedit $PKG/usr/bin + +#Create and install desktop entry +mkdir -p $PKG/usr/share/applications +cat <<EOF > $PKG/usr/share/applications/Gabedit.desktop +[Desktop Entry] +Name=Gabedit +Comment=Molecular editor +Exec=gabedit %f +Icon=Gabedit +Terminal=false +Type=Application +Categories=Education;GTK; +StartupNotify=true +MimeType= +EOF + +#Install icons +mkdir -p $PKG/usr/share/pixmaps +cp -a pixmaps/Gabedit.xpm $PKG/usr/share/pixmaps +cp -a icons/Gabedit*.png $PKG/usr/share/pixmaps + +find $PKG -print0 | xargs -0 file | grep -e "executable" -e "shared object" | grep ELF \ + | cut -f 1 -d : | xargs strip --strip-unneeded 2> /dev/null || true + +mkdir -p $PKG/usr/doc/$PRGNAM-$VERSION +cp -a ChangeLog License $PKG/usr/doc/$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 diff --git a/academic/Gabedit/Gabedit.info b/academic/Gabedit/Gabedit.info new file mode 100644 index 0000000000000..b38c531b20379 --- /dev/null +++ b/academic/Gabedit/Gabedit.info @@ -0,0 +1,10 @@ +PRGNAM="Gabedit" +VERSION="2.5.1" +HOMEPAGE="http://gabedit.sourceforge.net/" +DOWNLOAD="https://sourceforge.net/projects/gabedit/files/gabedit/Gabedit251/GabeditSrc251.tar.gz/download" +MD5SUM="8edd3911908ed70c7efbfdd8ec1dea21" +DOWNLOAD_x86_64="" +MD5SUM_x86_64="" +REQUIRES="gtkglext" +MAINTAINER="Giancarlo Dessì" +EMAIL="slack@giand.it" diff --git a/academic/Gabedit/README b/academic/Gabedit/README new file mode 100644 index 0000000000000..289199d0b7cfb --- /dev/null +++ b/academic/Gabedit/README @@ -0,0 +1,8 @@ +Gabedit is a graphical user interface to computational chemistry +packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC, +MOPAC, Orca, PCGamess and Q-Chem. + +It can display a variety of calculation results including support for +most major molecular file formats. The advanced "Molecule Builder" +allows to rapidly sketch in molecules and examine them in 3D. Graphics +can be exported to various formats, including animations. diff --git a/academic/Gabedit/doinst.sh b/academic/Gabedit/doinst.sh new file mode 100644 index 0000000000000..f25bed6fb6698 --- /dev/null +++ b/academic/Gabedit/doinst.sh @@ -0,0 +1,19 @@ +if [ -x /usr/bin/update-desktop-database ]; then + /usr/bin/update-desktop-database -q usr/share/applications >/dev/null 2>&1 +fi + +if [ -x /usr/bin/update-mime-database ]; then + /usr/bin/update-mime-database usr/share/mime >/dev/null 2>&1 +fi + +if [ -e usr/share/icons/hicolor/icon-theme.cache ]; then + if [ -x /usr/bin/gtk-update-icon-cache ]; then + /usr/bin/gtk-update-icon-cache -f usr/share/icons/hicolor >/dev/null 2>&1 + fi +fi + +if [ -e usr/share/glib-2.0/schemas ]; then + if [ -x /usr/bin/glib-compile-schemas ]; then + /usr/bin/glib-compile-schemas usr/share/glib-2.0/schemas >/dev/null 2>&1 + fi +fi diff --git a/academic/Gabedit/slack-desc b/academic/Gabedit/slack-desc new file mode 100644 index 0000000000000..3c60c50686049 --- /dev/null +++ b/academic/Gabedit/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 ':' except on otherwise blank lines. + + |-----handy-ruler------------------------------------------------------| +Gabedit: Gabedit (Graphical User Interface to computational chemistry) +Gabedit: +Gabedit: Gabedit can display a variety of calculation results including +Gabedit: support for most major molecular file formats. +Gabedit: +Gabedit: +Gabedit: +Gabedit: +Gabedit: Home page: http://gabedit.sourceforge.net/ +Gabedit: +Gabedit: |