Date: Fri, 31 Aug 2018 06:45:28 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r478522 - in head/science: . qbox qbox/files Message-ID: <201808310645.w7V6jS0H086992@repo.freebsd.org>
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Author: yuri Date: Fri Aug 31 06:45:27 2018 New Revision: 478522 URL: https://svnweb.freebsd.org/changeset/ports/478522 Log: New port: science/qbox: First-principles molecular dynamics code Added: head/science/qbox/ head/science/qbox/Makefile (contents, props changed) head/science/qbox/distinfo (contents, props changed) head/science/qbox/files/ head/science/qbox/files/freebsd.mk.in (contents, props changed) head/science/qbox/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Fri Aug 31 06:40:10 2018 (r478521) +++ head/science/Makefile Fri Aug 31 06:45:27 2018 (r478522) @@ -223,6 +223,7 @@ SUBDIR += pybrain SUBDIR += pycdf SUBDIR += pynn + SUBDIR += qbox SUBDIR += qcl SUBDIR += qmcpack SUBDIR += qtresistors Added: head/science/qbox/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/qbox/Makefile Fri Aug 31 06:45:27 2018 (r478522) @@ -0,0 +1,42 @@ +# $FreeBSD$ + +PORTNAME= qbox +DISTVERSIONPREFIX= rel +DISTVERSION= 1_65_0 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= First-principles molecular dynamics code + +LICENSE= GPLv2 + +LIB_DEPENDS= libblas.so:math/blas \ + libcurl.so:ftp/curl \ + libfftw3.so:math/fftw3 \ + libgcc_s.so:lang/gcc7 \ + liblapack.so:math/lapack \ + libmpich.so:net/mpich2 \ + libscalapack.so:math/scalapack \ + libuuid.so:misc/e2fsprogs-libuuid \ + libxerces-c.so:textproc/xerces-c3 + +USES= gmake iconv:wchar_t localbase:ldflags +USE_GITHUB= yes +GH_ACCOUNT= qboxcode +GH_PROJECT= qbox-public +ALL_TARGET= qb + +WRKSRC_SUBDIR= src + +MAKE_ARGS= TARGET=freebsd +LDFLAGS+= -Wl,-rpath=${LOCALBASE}/lib/gcc${GCC_DEFAULT} ${LOCALBASE}/lib/gcc${GCC_DEFAULT}/libgcc_s.so + +PLIST_FILES= bin/qb + +post-extract: + @${SED} -e 's|%%LOCALBASE%%|${LOCALBASE}|; s|%%CXXFLAGS%%|${CXXFLAGS}|; s|%%LDFLAGS%%|${LDFLAGS}|' < ${FILESDIR}/freebsd.mk.in > ${WRKSRC}/freebsd.mk + +do-install: + ${INSTALL_PROGRAM} ${WRKSRC}/qb ${STAGEDIR}${PREFIX}/bin + +.include <bsd.port.mk> Added: head/science/qbox/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/qbox/distinfo Fri Aug 31 06:45:27 2018 (r478522) @@ -0,0 +1,3 @@ +TIMESTAMP = 1535696295 +SHA256 (qboxcode-qbox-public-rel1_65_0_GH0.tar.gz) = b31308e604ee00ffbf35ac41295900278b598640551a60879ea69da810c488bc +SIZE (qboxcode-qbox-public-rel1_65_0_GH0.tar.gz) = 667533 Added: head/science/qbox/files/freebsd.mk.in ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/qbox/files/freebsd.mk.in Fri Aug 31 06:45:27 2018 (r478522) @@ -0,0 +1,43 @@ +# +# Copyright (c) 2014 The Regents of the University of California +# +# This file is part of Qbox +# +# Qbox is distributed under the terms of the GNU General Public License +# as published by the Free Software Foundation, either version 2 of +# the License, or (at your option) any later version. +# See the file COPYING in the root directory of this distribution +# or <http://www.gnu.org/licenses/>. +# +#------------------------------------------------------------------------------- +# +# macosx_openmpi.mk +# +#------------------------------------------------------------------------------- +# + PLT=FreeBSD +#------------------------------------------------------------------------------- + SCALAPACKDIR=%%LOCALBASE%%/lib + LAPACKDIR=%%LOCALBASE%%/lib + BLASDIR=%%LOCALBASE%%/lib + + PLTOBJECTS = readTSC.o + + LD=$(CXX) + + PLTFLAGS += -DIA32 -DUSE_MPI -DUSE_FFTW3 -D_LARGEFILE_SOURCE \ + -D_FILE_OFFSET_BITS=64 -DADD_ \ + -DAPP_NO_THREADS -DXML_USE_NO_THREADS -DUSE_XERCES -DXERCESC_3 \ + -DSCALAPACK -DUSE_UUID + + INCLUDE = -I$(FFTWDIR) + + CXXFLAGS= %%CXXFLAGS%% -Wunused -D$(PLT) $(INCLUDE) $(PLTFLAGS) $(DFLAGS) + + LIBPATH = -L$(SCALAPACKDIR) -L$(LAPACKDIR) -L$(BLASDIR) + + LIBS = -lfftw3 -lscalapack -llapack -lblas -lm \ + -lxerces-c -lpthread -lmpichcxx -lstdc++ -lcurl -liconv -luuid -lmpich + + LDFLAGS = %%LDFLAGS%% $(LIBPATH) $(LIBS) +#------------------------------------------------------------------------------- Added: head/science/qbox/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/qbox/pkg-descr Fri Aug 31 06:45:27 2018 (r478522) @@ -0,0 +1,7 @@ +Qbox is a C++/MPI scalable parallel implementation of first-principles molecular +dynamics (FPMD) based on the plane-wave, pseudopotential formalism. Qbox is +designed for operation on large parallel computers. + +Qbox is developed in Gygi Research Group at UC Davis. + +WWW: http://qboxcode.org/
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