diff options
Diffstat (limited to 'academic/OpenMM/OpenMM.SlackBuild')
| -rw-r--r-- | academic/OpenMM/OpenMM.SlackBuild | 165 |
1 files changed, 165 insertions, 0 deletions
diff --git a/academic/OpenMM/OpenMM.SlackBuild b/academic/OpenMM/OpenMM.SlackBuild new file mode 100644 index 0000000000..2696983b1f --- /dev/null +++ b/academic/OpenMM/OpenMM.SlackBuild @@ -0,0 +1,165 @@ +#!/bin/bash + +# Slackware build script for OpenMM + +# Copyright 2022 William PC - Seattle, USA +# 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=OpenMM +VERSION=${VERSION:-7.7.0} +BUILD=${BUILD:-1} +TAG=${TAG:-_SBo} +PKGTYPE=${PKGTYPE:-tgz} + +SRCNAM=${PRGNAM,,} + +if [ -z "$ARCH" ]; then + case "$( uname -m )" in + i?86) ARCH=i586 ;; + arm*) ARCH=arm ;; + *) ARCH=$( uname -m ) ;; + esac +fi + +# If the variable PRINT_PACKAGE_NAME is set, then this script will report what +# the name of the created package would be, and then exit. This information +# could be useful to other scripts. +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 $SRCNAM-$VERSION +tar xvf $CWD/$SRCNAM-$VERSION.tar.gz +cd $SRCNAM-$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 {} \; + +# fix library installation path +# note: the other solution requires less lines, +# but it was after cmake +sed -i \ + -e 's#/lib RUNTIME_DIRECTORY /lib#/lib'${LIBDIRSUFFIX}' RUNTIME_DIRECTORY /lib'${LIBDIRSUFFIX}'#' \ + -e 's#/lib/plugins RUNTIME_DIRECTORY /lib/plugins#/lib'${LIBDIRSUFFIX}'/plugins RUNTIME_DIRECTORY /lib'${LIBDIRSUFFIX}'/plugins#' \ + platforms/*/*/CMakeLists.txt \ + plugins/*/CMakeLists.txt \ + plugins/*/platforms/*/CMakeLists.txt + +sed -i 's#${CMAKE_INSTALL_PREFIX}/lib#&'${LIBDIRSUFFIX}'#' \ + plugins/*/CMakeLists.txt \ + plugins/*/platforms/*/CMakeLists.txt \ + platforms/*/CMakeLists.txt \ + platforms/*/*/CMakeLists.txt + +# fix installation path for examples and licenses +sed -i 's#\(DESTINATION\) \(examples\)#\1 share/'$PRGNAM'/\2#' \ + examples/CMakeLists.txt +sed -i 's#\(DESTINATION\) \(licenses\)#\1 doc/'$PRGNAM-$VERSION'/\2#' \ + docs-source/CMakeLists.txt + +mkdir -p build +cd build + cmake \ + -DCMAKE_C_FLAGS:STRING="$SLKCFLAGS" \ + -DCMAKE_CXX_FLAGS:STRING="$SLKCFLAGS" \ + -DCMAKE_INSTALL_PREFIX=/usr \ + -DBUILD_SHARED_LIBS=ON \ + -DPYTHON_EXECUTABLE=/usr/bin/python3 \ + $OPT_BUILD \ + -DCMAKE_BUILD_TYPE=Release .. + + # fix installation path of library "libOpenMM.so" + sed -i 's#${CMAKE_INSTALL_PREFIX}/lib#&'${LIBDIRSUFFIX}'#' \ + cmake_install.cmake + + make + make install/strip DESTDIR=$PKG + + if [ ${PYTHON:-no} == yes ]; then + cd python + # require the CFLAGS for linking with the OpenMM libraries + CFLAGS="-L$PKG/usr/lib${LIBDIRSUFFIX}" \ + OPENMM_INCLUDE_PATH="/usr/include;$PKG/usr/include" \ + OPENMM_LIB_PATH="/usr/lib${LIBDIRSUFFIX};$PKG/usr/lib${LIBDIRSUFFIX}" \ + python3 setup.py install --root=$PKG + # remove temporary folder from python module library path + PYVER=$( python3 -c 'import sys; print("%d.%d" % sys.version_info[:2])' ) + sed -i 's#;'$PKG'/usr/lib'${LIBDIRSUFFIX}'##' $PKG/usr/lib${LIBDIRSUFFIX}/python$PYVER/site-packages/openmm/version.py + cd .. + fi +cd .. + +# update example's makefile +sed -i \ + -e '21s#/usr/local/openmm#/usr#' \ + -e '31s#/lib#&'${LIBDIRSUFFIX}'#' \ + $PKG/usr/share/$PRGNAM/examples/Makefile + +# prune empty dirc "usr/docs" +rm -fr $PKG/usr/docs + + +# Don't ship .la files: +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 \ + {CODE_OF_CONDUCT,CONTRIBUTING,SUPPORT}.md \ + $PKG/usr/doc/$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 |