From 0655c91b45832dbb4bce53b1d524550fdd26db6e Mon Sep 17 00:00:00 2001 From: Daniil Bratashov Date: Thu, 13 May 2010 00:57:17 +0200 Subject: academic/ghemical: Added to 13.0 repository --- academic/ghemical/README | 6 +++ academic/ghemical/doinst.sh | 14 ++++++ academic/ghemical/ghemical.SlackBuild | 83 ++++++++++++++++++++++++++++++++++ academic/ghemical/ghemical.desktop | 12 +++++ academic/ghemical/ghemical.info | 10 ++++ academic/ghemical/ghemical.png | Bin 0 -> 2793 bytes academic/ghemical/ghemical.xml | 10 ++++ academic/ghemical/slack-desc | 19 ++++++++ 8 files changed, 154 insertions(+) create mode 100644 academic/ghemical/README create mode 100644 academic/ghemical/doinst.sh create mode 100644 academic/ghemical/ghemical.SlackBuild create mode 100644 academic/ghemical/ghemical.desktop create mode 100644 academic/ghemical/ghemical.info create mode 100644 academic/ghemical/ghemical.png create mode 100644 academic/ghemical/ghemical.xml create mode 100644 academic/ghemical/slack-desc diff --git a/academic/ghemical/README b/academic/ghemical/README new file mode 100644 index 0000000000000..5ca7672150870 --- /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 0000000000000..9830478e8cc75 --- /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 0000000000000..7ecb9236f2ea7 --- /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 0000000000000..d889aaafcc21f --- /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 0000000000000..da5f2efb8f700 --- /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 0000000000000..cdaca0807f9ab Binary files /dev/null and b/academic/ghemical/ghemical.png differ diff --git a/academic/ghemical/ghemical.xml b/academic/ghemical/ghemical.xml new file mode 100644 index 0000000000000..ffdcfe7556503 --- /dev/null +++ b/academic/ghemical/ghemical.xml @@ -0,0 +1,10 @@ + + + + <_comment>MM/QM project file + + + + + + diff --git a/academic/ghemical/slack-desc b/academic/ghemical/slack-desc new file mode 100644 index 0000000000000..0f6dc2ed8f4ef --- /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: -- cgit v1.2.3