academic/ghemical: Added to 13.0 repository

8 files changed, 154 insertions, 0 deletions

diff --git a/academic/ghemical/README b/academic/ghemical/README
new file mode 100644
index 0000000000..5ca7672150
--- /dev/null
+++ b/academic/ghemical/README
@@ -0,0 +1,6 @@
+Ghemical is an easy-to-use molecular editor with OpenGL visualisation
+features and modeling package with all-atoms molecular mechanics,
+reduced protein models and links to many common quantum chemistry
+codes.
+
+This requires gtkglext, libghemical, openbabel, and liboglappth.
diff --git a/academic/ghemical/doinst.sh b/academic/ghemical/doinst.sh
new file mode 100644
index 0000000000..9830478e8c
--- /dev/null
+++ b/academic/ghemical/doinst.sh
@@ -0,0 +1,14 @@
+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 usr/share/icons/hicolor >/dev/null 2>&1
+  fi
+fi
+
diff --git a/academic/ghemical/ghemical.SlackBuild b/academic/ghemical/ghemical.SlackBuild
new file mode 100644
index 0000000000..7ecb9236f2
--- /dev/null
+++ b/academic/ghemical/ghemical.SlackBuild
@@ -0,0 +1,83 @@
+#!/bin/sh
+
+# Slackware build script for ghemical
+
+# Written by Daniil Bratashov (dn2010@gmail.com)
+
+PRGNAM=ghemical
+VERSION=${VERSION:-2.99.2}
+ARCH=${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 # Exit on most errors
+
+rm -rf $PKG
+mkdir -p $TMP $PKG $OUTPUT
+cd $TMP
+rm -rf $PRGNAM-$VERSION
+tar xvf $CWD/$PRGNAM-$VERSION.tar.gz
+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 {} \;
+
+CFLAGS="$SLKCFLAGS" \
+CXXFLAGS="$SLKCFLAGS" \
+./configure \
+  --prefix=/usr \
+  --libdir=/usr/lib${LIBDIRSUFFIX} \
+  --sysconfdir=/etc \
+  --localstatedir=/var \
+  --mandir=/usr/man \
+  --docdir=/usr/doc/$PRGNAM-$VERSION \
+  --build=$ARCH-slackware-linux
+
+make
+make install DESTDIR=$PKG
+
+( 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 $PKG/usr/doc/$PRGNAM-$VERSION
+cp -a \
+  AUTHORS COPYING ChangeLog INSTALL NEWS README 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
+
+mkdir -p $PKG/usr/share/applications
+cat $CWD/ghemical.desktop > $PKG/usr/share/applications/ghemical.desktop
+mkdir -p $PKG/usr/share/mime/packages/
+cat $CWD/ghemical.xml > $PKG/usr/share/mime/packages/ghemical.xml
+mkdir -p $PKG/usr/share/icons/hicolor/48x48/apps
+cp $CWD/ghemical.png $PKG/usr/share/icons/hicolor/48x48/apps
+
+cd $PKG
+/sbin/makepkg -l y -c n $OUTPUT/$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.${PKGTYPE:-tgz}
diff --git a/academic/ghemical/ghemical.desktop b/academic/ghemical/ghemical.desktop
new file mode 100644
index 0000000000..d889aaafcc
--- /dev/null
+++ b/academic/ghemical/ghemical.desktop
@@ -0,0 +1,12 @@
+[Desktop Entry]
+Version=1.0
+Name=Ghemical
+Comment=Ghemical software for quantum-mechanics and molecular mechanics models
+Exec=ghemical -f %f
+Terminal=false
+TryExec=ghemical
+StartupNotify=true
+Type=Application
+Categories=GTK;GNOME;Education;Science;Chemistry;
+MimeType=application/x-ghemical;
+Icon=ghemical
diff --git a/academic/ghemical/ghemical.info b/academic/ghemical/ghemical.info
new file mode 100644
index 0000000000..da5f2efb8f
--- /dev/null
+++ b/academic/ghemical/ghemical.info
@@ -0,0 +1,10 @@
+PRGNAM="ghemical"
+VERSION="2.99.2"
+HOMEPAGE="http://www.uku.fi/~thassine/projects/ghemical/"
+DOWNLOAD="http://www.uku.fi/~thassine/projects/download/current/ghemical-2.99.2.tar.gz"
+MD5SUM="30f29b21d2f0649fc79823a7042131b5"
+DOWNLOAD_x86_64=""
+MD5SUM_x86_64=""
+MAINTAINER="Daniil Bratashov"
+EMAIL="dn2010@gmail.com"
+APPROVED="rworkman"
diff --git a/academic/ghemical/ghemical.png b/academic/ghemical/ghemical.png
new file mode 100644
index 0000000000..cdaca0807f
--- /dev/null
+++ b/academic/ghemical/ghemical.png
diff --git a/academic/ghemical/ghemical.xml b/academic/ghemical/ghemical.xml
new file mode 100644
index 0000000000..ffdcfe7556
--- /dev/null
+++ b/academic/ghemical/ghemical.xml
@@ -0,0 +1,10 @@
+<?xml version="1.0" encoding="UTF-8"?>
+<mime-info xmlns="http://www.freedesktop.org/standards/shared-mime-info">
+  <mime-type type="application/x-ghemical">
+    <_comment>MM/QM project file</_comment>
+    <magic priority="100">
+      <match type="string" value="!Header gpr " offset="0"/>
+    </magic>
+    <glob pattern="*.gpr"/>
+  </mime-type>
+</mime-info>
diff --git a/academic/ghemical/slack-desc b/academic/ghemical/slack-desc
new file mode 100644
index 0000000000..0f6dc2ed8f
--- /dev/null
+++ b/academic/ghemical/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------------------------------------------------------|
+ghemical: ghemical (Computational chemistry package)
+ghemical:
+ghemical: It contain an easy-to-use molecular editor with OpenGL visualisation
+ghemical: features and modeling package with all-atoms molecular mechanics,
+ghemical: reduced protein models and links to many common quantum chemistry
+ghemical: codes.
+ghemical:
+ghemical:
+ghemical:
+ghemical:
+ghemical: