academic/avogadroapp: Added (graphic user interface of Avogadro 2)

Signed-off-by: Dave Woodfall <dave@slackbuilds.org>

Signed-off-by: Willy Sudiarto Raharjo <willysr@slackbuilds.org>

5 files changed, 167 insertions, 0 deletions

diff --git a/academic/avogadroapp/README b/academic/avogadroapp/README
new file mode 100644
index 000000000000..440974626046
--- /dev/null
+++ b/academic/avogadroapp/README
@@ -0,0 +1,13 @@
+Avogadro Application is the graphic user interface of Avogadro 2.
+
+Avogadro is an advanced molecular editor designed for cross-platform 
+use in computational chemistry, molecular modeling, bioinformatics, 
+materials science, and related areas. It offers flexible rendering and 
+a powerful plugin architecture. 
+
+Managed by OpenChemistry, Avogadro 2 it is based on QT5 libraries and 
+it is a rewrite of the old Avogadro 1.x.
+
+Warning: the computational settings made through the Input Generator 
+require the MoleQueue server running to submit jobs to local 
+applications or remote HPC clusters. 
diff --git a/academic/avogadroapp/avogadroapp.SlackBuild b/academic/avogadroapp/avogadroapp.SlackBuild
new file mode 100644
index 000000000000..4168f008c330
--- /dev/null
+++ b/academic/avogadroapp/avogadroapp.SlackBuild
@@ -0,0 +1,114 @@
+#!/bin/bash
+
+# Slackware build script for avogadroapp
+
+# Copyright 2020-2022 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=avogadroapp
+VERSION=${VERSION:-1.95.1}
+BUILD=${BUILD:-1}
+TAG=${TAG:-_SBo}
+PKGTYPE=${PKGTYPE:-tgz}
+
+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 $PRGNAM-$VERSION avogadro-i18n
+tar xvf $CWD/$PRGNAM-$VERSION.tar.gz
+# Following archive must be unpacked in /tmp since the build process
+# searches it as parallel directory and tries to connect to github if
+# not found
+tar xvf $CWD/avogadro-i18n.tar.gz
+
+# Now we can change directory to $PRGNAM-$VERSION
+cd $PRGNAM-$VERSION
+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 {} \;
+
+mkdir -p build
+cd build
+  cmake \
+    -DCMAKE_C_FLAGS:STRING="$SLKCFLAGS" \
+    -DCMAKE_CXX_FLAGS:STRING="$SLKCFLAGS" \
+    -DCMAKE_INSTALL_PREFIX=/usr \
+    -DCMAKE_BUILD_TYPE=Release \
+    ..
+  make
+  make install DESTDIR=$PKG
+cd ..
+
+rm -f $PKG/{,usr/}lib${LIBDIRSUFFIX}/*.la
+
+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 *.md LICENSE $PKG/usr/doc/$PRGNAM-$VERSION
+cat $CWD/$PRGNAM.SlackBuild > $PKG/usr/doc/$PRGNAM-$VERSION/$PRGNAM.SlackBuild
+
+# Remove doc files installed by make install in /usr/share/doc/AvogadroApp that is redundant
+rm -rf $PKG/usr/share/doc
+
+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/avogadroapp/avogadroapp.info b/academic/avogadroapp/avogadroapp.info
new file mode 100644
index 000000000000..165d8ff57475
--- /dev/null
+++ b/academic/avogadroapp/avogadroapp.info
@@ -0,0 +1,12 @@
+PRGNAM="avogadroapp"
+VERSION="1.95.1"
+HOMEPAGE="https://github.com/OpenChemistry/avogadroapp"
+DOWNLOAD="https://github.com/OpenChemistry/avogadroapp/archive/v1.95.1/avogadroapp-1.95.1.tar.gz \
+          https://github.com/giandex/misc/raw/main/avogadro-i18n.tar.gz"
+MD5SUM="3281a73a93810276a014506041094ee3 \
+        538f178ec33f948f1391f877557718a2"
+DOWNLOAD_x86_64=""
+MD5SUM_x86_64=""
+REQUIRES="avogadrolibs hdf5"
+MAINTAINER="Giancarlo Dessì"
+EMAIL="slack@giand.it"
diff --git a/academic/avogadroapp/doinst.sh b/academic/avogadroapp/doinst.sh
new file mode 100644
index 000000000000..65c7e2eeb9aa
--- /dev/null
+++ b/academic/avogadroapp/doinst.sh
@@ -0,0 +1,9 @@
+if [ -x /usr/bin/update-desktop-database ]; then
+  /usr/bin/update-desktop-database -q usr/share/applications >/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
diff --git a/academic/avogadroapp/slack-desc b/academic/avogadroapp/slack-desc
new file mode 100644
index 000000000000..030caebdb3e3
--- /dev/null
+++ b/academic/avogadroapp/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------------------------------------------------------|
+avogadroapp: avogadroapp (graphic user interface of Avogadro 2)
+avogadroapp:
+avogadroapp: Avogadro Application is the graphic interface of Avogadro 2, an 
+avogadroapp: advanced molecular editor designed for cross-platform use in 
+avogadroapp: computational chemistry, molecular modeling, bioinformatics, 
+avogadroapp: materials science, and related areas. It offers flexible rendering 
+avogadroapp: and a powerful application on one plugin architecture.
+avogadroapp:
+avogadroapp: Homepage: https://github.com/OpenChemistry/avogadroapp
+avogadroapp:
+avogadroapp: