academic/libghemical: Updated for version 3.0.0.

Signed-off-by: Niels Horn <niels.horn@slackbuilds.org>

academic/libghemical/README

@@ -1,7 +1,6 @@
 Libghemical is a software library which contains all of the
 computational chemistry functionality of the ghemical application.
 
-libghemical is the part of ghemical project. It requres mopac7
-library and mpqc quantum chemistry program. If you don't need such
-functionality delete --enable-mopac7 and --enable-mpqc ./configure
-switches.
+libghemical is the part of ghemical project. It optionally requres
+mopac7 library and mpqc quantum chemistry program. If you need such
+functionality compile it with WITH_MOPAC7=yes and WITH_MPQC=yes

academic/libghemical/libghemical.SlackBuild

@@ -5,16 +5,14 @@
 # Written by Daniil Bratashov (dn2010@gmail.com)
 
 PRGNAM=libghemical
-VERSION=${VERSION:-2.99.1}
+VERSION=${VERSION:-3.0.0}
 BUILD=${BUILD:-1}
 TAG=${TAG:-_SBo}
 
-# Automatically determine the architecture we're building on:
 if [ -z "$ARCH" ]; then
   case "$( uname -m )" in
     i?86) ARCH=i486 ;;
     arm*) ARCH=arm ;;
-    # Unless $ARCH is already set, use uname -m for all other archs:
        *) ARCH=$( uname -m ) ;;
   esac
 fi
@@ -38,7 +36,7 @@ else
   LIBDIRSUFFIX=""
 fi
 
-set -e # Exit on most errors
+set -e
 
 rm -rf $PKG
 mkdir -p $TMP $PKG $OUTPUT
@@ -64,8 +62,8 @@ CXXFLAGS="$SLKCFLAGS" \
   --docdir=/usr/doc/$PRGNAM-$VERSION \
   --build=$ARCH-slackware-linux \
   --disable-static \
-  --enable-mopac7 \
-  --enable-mpqc \
+  --enable-mopac7=${WITH_MOPAC7:-no} \
+  --enable-mpqc=${WITH_MPQC:-no} \
   --build=$ARCH-slackware-linux
 
 make

academic/libghemical/libghemical.info

@@ -1,10 +1,10 @@
 PRGNAM="libghemical"
-VERSION="2.99.1"
-HOMEPAGE="http://www.uku.fi/~thassine/projects/ghemical/"
-DOWNLOAD="http://www.uku.fi/~thassine/projects/download/current/libghemical-2.99.1.tar.gz"
-MD5SUM="d2dae2d7d786d3cba335cb29d85033ea"
+VERSION="3.0.0"
+HOMEPAGE="http://www.bioinformatics.org/ghemical/"
+DOWNLOAD="http://www.bioinformatics.org/ghemical/download/release20111012/libghemical-3.0.0.tar.gz"
+MD5SUM="1d5c9c19bb119470d2bb41a7e681eafd"
 DOWNLOAD_x86_64=""
 MD5SUM_x86_64=""
 MAINTAINER="Daniil Bratashov"
 EMAIL="dn2010@gmail.com"
-APPROVED="rworkman"
+APPROVED="Niels Horn"