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>

5 files changed, 179 insertions, 0 deletions

diff --git a/academic/Gabedit/Gabedit.SlackBuild b/academic/Gabedit/Gabedit.SlackBuild
new file mode 100644
index 0000000000..0fbdebc116
--- /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 0000000000..b38c531b20
--- /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 0000000000..289199d0b7
--- /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 0000000000..f25bed6fb6
--- /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 0000000000..3c60c50686
--- /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: