From 5b70a137ebda33ff22195dad02cd63efb131bcf8 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Giancarlo=20Dess=C3=AC?= Date: Fri, 1 Apr 2022 02:53:22 +0100 Subject: libraries/libmsym: Added (molecular point group symmetry) Signed-off-by: Dave Woodfall Signed-off-by: Willy Sudiarto Raharjo --- libraries/libmsym/README | 5 ++ libraries/libmsym/libmsym.SlackBuild | 106 +++++++++++++++++++++++++++++++++++ libraries/libmsym/libmsym.info | 10 ++++ libraries/libmsym/slack-desc | 19 +++++++ 4 files changed, 140 insertions(+) create mode 100644 libraries/libmsym/README create mode 100644 libraries/libmsym/libmsym.SlackBuild create mode 100644 libraries/libmsym/libmsym.info create mode 100644 libraries/libmsym/slack-desc (limited to 'libraries/libmsym') diff --git a/libraries/libmsym/README b/libraries/libmsym/README new file mode 100644 index 000000000000..7e56165761dc --- /dev/null +++ b/libraries/libmsym/README @@ -0,0 +1,5 @@ +libmsym is a C library to determine, symmetrize and generate molecules +of any point group as well determine/select subgroups. +Get symmetrically equivalent elements and symmetrize translation of +any any element in a molecule. +It is required as optional dependency of Avogadro Libraries. diff --git a/libraries/libmsym/libmsym.SlackBuild b/libraries/libmsym/libmsym.SlackBuild new file mode 100644 index 000000000000..8c43f522928f --- /dev/null +++ b/libraries/libmsym/libmsym.SlackBuild @@ -0,0 +1,106 @@ +#!/bin/bash + +# Slackware build script for + +# 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=libmsym +VERSION=${VERSION:-0.2.2} +BUILD=${BUILD:-1} +TAG=${TAG:-_SBo} +PKGTYPE=${PKGTYPE:-tgz} + +if [ -z "$ARCH" ]; then + case "$( uname -m )" in + i?86) ARCH=i586 ;; + arm*) ARCH=arm ;; + *) ARCH=$( uname -m ) ;; + esac +fi + +TMP=${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 +tar xvf $CWD/$PRGNAM-$VERSION.tar.gz +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_INSTALL_PREFIX=/usr \ + -DCMAKE_C_FLAGS:STRING="$SLKCFLAGS" \ + -DCMAKE_CXX_FLAGS:STRING="$SLKCFLAGS" \ + -DINSTALL_LIB_DIR=/usr/lib$LIBDIRSUFFIX \ + -DBUILD_SHARED_LIBS:BOOL=ON \ + -DCMAKE_BUILD_TYPE=Release .. + make VERBOSE=1 + make + make install/strip DESTDIR=$PKG +cd .. + +#Build the python bindings + cd bindings/python + python3 setup.py install --root=$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 README.md 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 + +cd $PKG +/sbin/makepkg -l y -c n $OUTPUT/$PRGNAM-$VERSION-$ARCH-$BUILD$TAG.$PKGTYPE diff --git a/libraries/libmsym/libmsym.info b/libraries/libmsym/libmsym.info new file mode 100644 index 000000000000..32d9546cc61b --- /dev/null +++ b/libraries/libmsym/libmsym.info @@ -0,0 +1,10 @@ +PRGNAM="libmsym" +VERSION="0.2.2" +HOMEPAGE="https://github.com/mcodev31/libmsym" +DOWNLOAD="https://github.com/mcodev31/libmsym/archive/v0.2.2/libmsym-0.2.2.tar.gz" +MD5SUM="dce597efa8596d7a0a186222a4c0982a" +DOWNLOAD_x86_64="" +MD5SUM_x86_64="" +REQUIRES="" +MAINTAINER="Giancarlo Dessì" +EMAIL="slack@giand.it" diff --git a/libraries/libmsym/slack-desc b/libraries/libmsym/slack-desc new file mode 100644 index 000000000000..bc91fcfcd099 --- /dev/null +++ b/libraries/libmsym/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------------------------------------------------------| +libmsym: libmsym (molecular point group symmetry) +libmsym: +libmsym: libmsym is a C library dealing with point group symmetry in +libmsym: molecules. Determine, symmetrize and generate molecules of any point +libmsym: group as well determine and select subgroups. +libmsym: Get symmetrically equivalent elements and symmetrize translation of +libmsym: any element in a molecule. +libmsym: +libmsym: https://github.com/mcodev31/libmsym +libmsym: +libmsym: -- cgit v1.2.3