diff options
Diffstat (limited to 'libraries/scafacos')
-rw-r--r-- | libraries/scafacos/README | 7 | ||||
-rw-r--r-- | libraries/scafacos/libfcs.bib | 6 | ||||
-rw-r--r-- | libraries/scafacos/scafacos-1.0.1.fix.diff | 188 | ||||
-rw-r--r-- | libraries/scafacos/scafacos.SlackBuild | 112 | ||||
-rw-r--r-- | libraries/scafacos/scafacos.info | 10 | ||||
-rw-r--r-- | libraries/scafacos/slack-desc | 19 |
6 files changed, 342 insertions, 0 deletions
diff --git a/libraries/scafacos/README b/libraries/scafacos/README new file mode 100644 index 0000000000..a4eece60a9 --- /dev/null +++ b/libraries/scafacos/README @@ -0,0 +1,7 @@ +ScaFaCoS ("Scalable Fast Coulomb Solver") is a parallel library that +includes in a common interface various metods for solving electrostatic +and gravitational problems in large particle simulations for scientific +and technical applications in Phisics and Materials science. + +If you use this library for scientific researches please cite the +Authors using the BibTex entry given in the file libfcs.bib. diff --git a/libraries/scafacos/libfcs.bib b/libraries/scafacos/libfcs.bib new file mode 100644 index 0000000000..b7dcc41b8f --- /dev/null +++ b/libraries/scafacos/libfcs.bib @@ -0,0 +1,6 @@ +@MISC{scafacos-web, + Author = {M.~Bolten and F.~Fahrenberger and R.~Halver and F.~Heber and M.~Hofmann and I.~Kabadshow and O.~Lenz and M.~Pippig and G.~Sutmann}, + Howpublished = {{\verb+http://scafacos.github.com/+}}, + Title = {{ScaFaCoS, C subroutine library}}, + Url = {http://scafacos.github.com}, +} diff --git a/libraries/scafacos/scafacos-1.0.1.fix.diff b/libraries/scafacos/scafacos-1.0.1.fix.diff new file mode 100644 index 0000000000..1307e4d841 --- /dev/null +++ b/libraries/scafacos/scafacos-1.0.1.fix.diff @@ -0,0 +1,188 @@ +--- ./lib/fmm/src/mp_wrapper.f90 ++++ ./lib/fmm/src/mp_wrapper.f90 +index c78178b..6a3c403 100644 +--- a/lib/fmm/src/mp_wrapper.f90 ++++ b/lib/fmm/src/mp_wrapper.f90 +@@ -491,7 +491,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp +- ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ integer(kind=8) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + elem_tmp = 1 + + call mpi_allreduce(MPI_IN_PLACE,dst,elem_tmp,MPI_INTEGER8,op,comm,ierr) +@@ -510,6 +515,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ integer(kind=8), dimension(*) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + + elem_tmp = elem + +@@ -528,6 +539,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode):: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ real(kind=4) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + + elem_tmp = 1 + +@@ -547,6 +564,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ real(kind=4), dimension(*) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + + elem_tmp = elem + +@@ -566,6 +589,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ real(kind=4), dimension(*) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + + lo = lbound(dst,1) + hi = ubound(dst,1) +@@ -586,6 +615,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode):: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ real(kind=8) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + + elem_tmp = 1 + +@@ -605,6 +640,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ real(kind=8), dimension(*) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + + elem_tmp = elem + +@@ -624,6 +665,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allreduce(send,recv,num,rtype,rop,rcomm,rerr) ++ real(kind=8), dimension(*) :: recv ++ integer(kind=4) :: send, num, rop, rtype, rcomm, rerr ++ end subroutine mpi_allreduce ++ end interface + + lo = lbound(dst,1) + hi = ubound(dst,1) +@@ -648,6 +695,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode):: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allgather(send,snum,stype,recv,rnum,rtype,gcomm,gerr) ++ byte, dimension(*) :: recv ++ integer(kind=4) :: send, snum, rnum, stype, rtype, gcomm, gerr ++ end subroutine mpi_allgather ++ end interface + + lo = lbound(dst,1) + hi = ubound(dst,1) +@@ -668,6 +721,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode):: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allgather(send,snum,stype,recv,rnum,rtype,gcomm,gerr) ++ byte, dimension(*) :: recv ++ integer(kind=4) :: send, snum, rnum, stype, rtype, gcomm, gerr ++ end subroutine mpi_allgather ++ end interface + + lo1 = lbound(dst,1) + hi1 = ubound(dst,1) +@@ -690,6 +749,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allgather(send,snum,stype,recv,rnum,rtype,gcomm,gerr) ++ real(kind=4), dimension(*) :: recv ++ integer(kind=4) :: send, snum, rnum, stype, rtype, gcomm, gerr ++ end subroutine mpi_allgather ++ end interface + + elem_tmp = elem + +@@ -708,6 +773,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allgather(send,snum,stype,recv,rnum,rtype,gcomm,gerr) ++ integer(kind=8), dimension(*) :: recv ++ integer(kind=4) :: send, snum, rnum, stype, rtype, gcomm, gerr ++ end subroutine mpi_allgather ++ end interface + + elem_tmp = elem + +@@ -726,6 +797,12 @@ implicit none + integer(MyMPI_Comm) :: comm + integer(MyMPI_Errorcode) :: ierr,ierr2 + integer(MyMPI_Entries) :: elem_tmp ++ interface ++ subroutine mpi_allgather(send,snum,stype,recv,rnum,rtype,gcomm,gerr) ++ integer(kind=8), dimension(*) :: recv ++ integer(kind=4) :: send, snum, rnum, stype, rtype, gcomm, gerr ++ end subroutine mpi_allgather ++ end interface + + lo = lbound(dst,1) + hi = ubound(dst,1) +diff --git a/src/fcs_fmm.c b/src/fcs_fmm.c +index 37acb67..10bbd10 100644 +--- a/src/fcs_fmm.c ++++ b/src/fcs_fmm.c +@@ -430,7 +430,7 @@ FCSResult fcs_fmm_tune(FCS handle, fcs_int local_particles, fcs_float *positions + return FCS_RESULT_SUCCESS; + } + +-int fcs_mpi_fmm_sort_front_part, fcs_mpi_fmm_sort_back_part, fcs_mpi_fmm_sort_front_merge_presorted; ++extern int fcs_mpi_fmm_sort_front_part, fcs_mpi_fmm_sort_back_part, fcs_mpi_fmm_sort_front_merge_presorted; + + /* internal fmm-specific run function */ + FCSResult fcs_fmm_run(FCS handle, fcs_int local_particles, diff --git a/libraries/scafacos/scafacos.SlackBuild b/libraries/scafacos/scafacos.SlackBuild new file mode 100644 index 0000000000..1bd68bf063 --- /dev/null +++ b/libraries/scafacos/scafacos.SlackBuild @@ -0,0 +1,112 @@ +#!/bin/bash + +# Slackware build script for scafacos + +# Copyright 2024 Giancarlo Dessi, 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=scafacos +VERSION=${VERSION:-1.0.1} +BUILD=${BUILD:-2} +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 +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 {} \; + +patch -p1 < $CWD/scafacos-1.0.1.fix.diff + +CFLAGS="$SLKCFLAGS -g " \ +CXXFLAGS="$SLKCFLAGS" \ +./configure \ + --prefix=/usr \ + --libdir=/usr/lib${LIBDIRSUFFIX} \ + --sysconfdir=/etc \ + --localstatedir=/var \ + --docdir=/usr/doc/$PRGNAM-$VERSION \ + --build=$ARCH-slackware-linux \ + --enable-fcs-solvers=fmm,p2nfft,direct,ewald,p3m \ + --disable-static \ + --enable-shared + +make +make doc +make install DESTDIR=$PKG + +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 COPYING.GPL COPYING.LGPL $CWD/libfcs.bib $PKG/usr/doc/$PRGNAM-$VERSION +chown root:root $PKG/usr/doc/$PRGNAM-$VERSION/libfcs.bib +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/scafacos/scafacos.info b/libraries/scafacos/scafacos.info new file mode 100644 index 0000000000..d615cb0d57 --- /dev/null +++ b/libraries/scafacos/scafacos.info @@ -0,0 +1,10 @@ +PRGNAM="scafacos" +VERSION="1.0.1" +HOMEPAGE="http://www.scafacos.de" +DOWNLOAD="https://github.com/scafacos/scafacos/releases/download/v1.0.1/scafacos-1.0.1.tar.gz" +MD5SUM="bd46d74e3296bd8a444d731bb10c1738" +DOWNLOAD_x86_64="" +MD5SUM_x86_64="" +REQUIRES="openmpi" +MAINTAINER="Giancarlo Dessi" +EMAIL="slack@giand.it" diff --git a/libraries/scafacos/slack-desc b/libraries/scafacos/slack-desc new file mode 100644 index 0000000000..9c3f1b73ad --- /dev/null +++ b/libraries/scafacos/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------------------------------------------------------| +scafacos: scafacos (Scalable Fast Coulomb Solver) +scafacos: +scafacos: ScaFaCoS is a parallel library that includes in a common interface +scafacos: various algorithms for solving electrostatic and gravitational +scafacos: problems in large particle simulations for scientific and technical +scafacos: applications in Physics and Materials science. +scafacos: +scafacos: Home page: http://www.scafacos.de +scafacos: +scafacos: +scafacos: |