Date: Mon, 4 May 2020 19:55:51 +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: r533981 - in head/science: . plumed plumed/files Message-ID: <202005041955.044Jtpp2039477@repo.freebsd.org>
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Author: yuri Date: Mon May 4 19:55:51 2020 New Revision: 533981 URL: https://svnweb.freebsd.org/changeset/ports/533981 Log: New port: science/plumed: PLUgin for MolEcular Dynamics Added: head/science/plumed/ head/science/plumed/Makefile (contents, props changed) head/science/plumed/distinfo (contents, props changed) head/science/plumed/files/ head/science/plumed/files/patch-configure.ac (contents, props changed) head/science/plumed/pkg-descr (contents, props changed) head/science/plumed/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Mon May 4 19:53:53 2020 (r533980) +++ head/science/Makefile Mon May 4 19:55:51 2020 (r533981) @@ -214,6 +214,7 @@ SUBDIR += paje SUBDIR += paraview SUBDIR += pcmsolver + SUBDIR += plumed SUBDIR += pnetcdf SUBDIR += pulseview SUBDIR += py-DendroPy Added: head/science/plumed/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/plumed/Makefile Mon May 4 19:55:51 2020 (r533981) @@ -0,0 +1,35 @@ +# $FreeBSD$ + +PORTNAME= plumed +DISTVERSIONPREFIX= v +DISTVERSION= 2.6.0 +CATEGORIES= science graphics + +MAINTAINER= yuri@FreeBSD.org +COMMENT= PLUgin for MolEcular Dynamics + +LICENSE= LGPL3 +LICENSE_FILE= ${WRKSRC}/COPYING.LESSER + +BUILD_DEPENDS= bash:shells/bash \ + xxd:editors/vim-console +RUN_DEPENDS= bash:shells/bash + +USES= autoreconf gmake pkgconfig shebangfix +SHEBANG_GLOB= *.sh +SHEBANG_FILES= src/maketools/makecmd +GNU_CONFIGURE= yes +USE_GITHUB= yes +GH_PROJECT= plumed2 +USE_LDCONFIG= yes + +CONFIGURE_ARGS= --enable-shared --disable-python + +post-patch: + @${REINPLACE_CMD} -e 's|#! /bin/bash|#! ${LOCALBASE}/bin/bash|' ${WRKSRC}/src/lib/Makefile + +post-install: + @${RMDIR} ${STAGEDIR}${PREFIX}/lib/plumed/obj + @cd ${STAGEDIR}${PREFIX} && ${STRIP_CMD} bin/plumed lib/plumed/plumed-runtime lib/libplumed.so lib/libplumedKernel.so + +.include <bsd.port.mk> Added: head/science/plumed/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/plumed/distinfo Mon May 4 19:55:51 2020 (r533981) @@ -0,0 +1,3 @@ +TIMESTAMP = 1588612750 +SHA256 (plumed-plumed2-v2.6.0_GH0.tar.gz) = 3d57ae460607a49547ef38a52c4ac93493a3966857c352280a9c05f5dcdb1820 +SIZE (plumed-plumed2-v2.6.0_GH0.tar.gz) = 74664958 Added: head/science/plumed/files/patch-configure.ac ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/plumed/files/patch-configure.ac Mon May 4 19:55:51 2020 (r533981) @@ -0,0 +1,20 @@ +--- configure.ac.orig 2020-05-04 17:58:19 UTC ++++ configure.ac +@@ -889,6 +889,17 @@ if test "$shared" == true ; then + PLUMED_CHECK_LDFLAGS([-Wl,-Bsymbolic]) + fi + ;; ++ (FreeBSD) ++ AC_MSG_NOTICE([*** Special settings for dynamic libraries on Linux ***]) ++ AC_MSG_NOTICE([Dynamic library extension is 'so']) ++ AC_MSG_NOTICE([LDSHARED and LDFLAGS need special flags]) ++ SOEXT=so ++ LDSHARED="$LDSHARED -shared" ++ PLUMED_CHECK_LDFLAGS([-rdynamic]) ++ if test "$bsymbolic" == true ; then ++ PLUMED_CHECK_LDFLAGS([-Wl,-Bsymbolic]) ++ fi ++ ;; + (*) + AC_MSG_NOTICE([*** Dynamic library only enabled on OSX and Linux ***]) + esac Added: head/science/plumed/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/plumed/pkg-descr Mon May 4 19:55:51 2020 (r533981) @@ -0,0 +1,8 @@ +PLUMED is an open-source, community-developed library that provides a wide +range of different methods, which include: +* enhanced-sampling algorithms +* free-energy methods +* tools to analyze the vast amounts of data produced by molecular dynamics (MD) + simulations. + +WWW: https://www.plumed.org/ Added: head/science/plumed/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/plumed/pkg-plist Mon May 4 19:55:51 2020 (r533981) @@ -0,0 +1,491 @@ +bin/plumed +bin/plumed-config +bin/plumed-patch +include/plumed/analysis/AnalysisBase.h +include/plumed/analysis/AverageVessel.h +include/plumed/analysis/DataCollectionObject.h +include/plumed/analysis/LandmarkSelectionBase.h +include/plumed/analysis/ReadAnalysisFrames.h +include/plumed/asmjit/arch.h +include/plumed/asmjit/arm.h +include/plumed/asmjit/asmjit.h +include/plumed/asmjit/asmjit_apibegin.h +include/plumed/asmjit/asmjit_apiend.h +include/plumed/asmjit/asmjit_build.h +include/plumed/asmjit/assembler.h +include/plumed/asmjit/base.h +include/plumed/asmjit/codebuilder.h +include/plumed/asmjit/codecompiler.h +include/plumed/asmjit/codeemitter.h +include/plumed/asmjit/codeholder.h +include/plumed/asmjit/constpool.h +include/plumed/asmjit/cpuinfo.h +include/plumed/asmjit/func.h +include/plumed/asmjit/globals.h +include/plumed/asmjit/inst.h +include/plumed/asmjit/logging.h +include/plumed/asmjit/misc_p.h +include/plumed/asmjit/moved_string.h +include/plumed/asmjit/operand.h +include/plumed/asmjit/osutils.h +include/plumed/asmjit/regalloc_p.h +include/plumed/asmjit/runtime.h +include/plumed/asmjit/simdtypes.h +include/plumed/asmjit/utils.h +include/plumed/asmjit/vmem.h +include/plumed/asmjit/x86.h +include/plumed/asmjit/x86assembler.h +include/plumed/asmjit/x86builder.h +include/plumed/asmjit/x86compiler.h +include/plumed/asmjit/x86emitter.h +include/plumed/asmjit/x86globals.h +include/plumed/asmjit/x86inst.h +include/plumed/asmjit/x86instimpl_p.h +include/plumed/asmjit/x86internal_p.h +include/plumed/asmjit/x86logging_p.h +include/plumed/asmjit/x86misc.h +include/plumed/asmjit/x86operand.h +include/plumed/asmjit/x86regalloc_p.h +include/plumed/asmjit/zone.h +include/plumed/bias/ActionRegister.h +include/plumed/bias/Bias.h +include/plumed/bias/ReweightBase.h +include/plumed/blas/blas.h +include/plumed/blas/def_external.h +include/plumed/blas/def_internal.h +include/plumed/blas/real.h +include/plumed/cltools/CLTool.h +include/plumed/cltools/CLToolRegister.h +include/plumed/colvar/ActionRegister.h +include/plumed/colvar/Colvar.h +include/plumed/colvar/CoordinationBase.h +include/plumed/colvar/PathMSDBase.h +include/plumed/config/Config.h +include/plumed/config/version.h +include/plumed/core/Action.h +include/plumed/core/ActionAnyorder.h +include/plumed/core/ActionAtomistic.h +include/plumed/core/ActionPilot.h +include/plumed/core/ActionRegister.h +include/plumed/core/ActionSet.h +include/plumed/core/ActionSetup.h +include/plumed/core/ActionShortcut.h +include/plumed/core/ActionWithArguments.h +include/plumed/core/ActionWithValue.h 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