From owner-svn-ports-head@freebsd.org Fri Dec 18 01:21:01 2020 Return-Path: Delivered-To: svn-ports-head@mailman.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.nyi.freebsd.org (Postfix) with ESMTP id D5FF54AA29C; Fri, 18 Dec 2020 01:21:01 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256 client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 4CxrfP5DPkz3Jd6; Fri, 18 Dec 2020 01:21:01 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org (repo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:0]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id A6B5F223FC; Fri, 18 Dec 2020 01:21:01 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org ([127.0.1.37]) by repo.freebsd.org (8.15.2/8.15.2) with ESMTP id 0BI1L1ib085427; Fri, 18 Dec 2020 01:21:01 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id 0BI1L170085426; Fri, 18 Dec 2020 01:21:01 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <202012180121.0BI1L170085426@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Fri, 18 Dec 2020 01:21:01 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r558341 - head/science/gromacs X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: head/science/gromacs X-SVN-Commit-Revision: 558341 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-head@freebsd.org X-Mailman-Version: 2.1.34 Precedence: list List-Id: SVN commit messages for the ports tree for head List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Fri, 18 Dec 2020 01:21:01 -0000 Author: yuri Date: Fri Dec 18 01:21:01 2020 New Revision: 558341 URL: https://svnweb.freebsd.org/changeset/ports/558341 Log: science/gromacs: Add the LEGACY option that installs legacy API needed by some users Modified: head/science/gromacs/Makefile head/science/gromacs/pkg-plist Modified: head/science/gromacs/Makefile ============================================================================== --- head/science/gromacs/Makefile Fri Dec 18 01:17:36 2020 (r558340) +++ head/science/gromacs/Makefile Fri Dec 18 01:21:01 2020 (r558341) @@ -3,6 +3,7 @@ PORTNAME= gromacs DISTVERSION= 2020.4 +PORTREVISION= 1 CATEGORIES= science MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/ @@ -25,10 +26,10 @@ CMAKE_OFF= GMX_USE_RDTSCP \ USE_PYTHON_SCRIPTS USE_LDCONFIG= yes -OPTIONS_DEFINE= ATLAS FLOAT OPENCL OPENMP SIMD X11 +OPTIONS_DEFINE= ATLAS FLOAT LEGACY OPENCL OPENMP SIMD X11 OPTIONS_SINGLE= MP OPTIONS_SINGLE_MP= NOMP MPICH OPENMPI THREAD_MPI -OPTIONS_DEFAULT= FLOAT OPENMP THREAD_MPI X11 +OPTIONS_DEFAULT= FLOAT LEGACY OPENMP THREAD_MPI X11 OPTIONS_SUB= yes ATLAS_DESC= Use ATLAS for BLAS and LAPACK @@ -47,6 +48,9 @@ FLOAT_CMAKE_ON= -DGMX_DOUBLE:BOOL=OFF FLOAT_CMAKE_OFF= -DGMX_DOUBLE:BOOL=ON FLOAT_PLIST_SUB= SUFFIX_D="" FLOAT_PLIST_SUB_OFF= SUFFIX_D="_d" + +LEGACY_DESC= Install legacy API # expected by science/votca +LEGACY_CMAKE_BOOL= GMX_INSTALL_LEGACY_API OPENCL_CMAKE_BOOL= GMX_USE_OPENCL GMX_GPU OPENCL_LIB_DEPENDS= libOpenCL.so:devel/ocl-icd Modified: head/science/gromacs/pkg-plist ============================================================================== --- head/science/gromacs/pkg-plist Fri Dec 18 01:17:36 2020 (r558340) +++ head/science/gromacs/pkg-plist Fri Dec 18 01:21:01 2020 (r558341) @@ -22,17 +22,90 @@ include/gmxapi/session/resources.h include/gmxapi/status.h include/gmxapi/system.h include/gmxapi/version.h +%%LEGACY%%include/gromacs/analysisdata.h +%%LEGACY%%include/gromacs/analysisdata/abstractdata.h +%%LEGACY%%include/gromacs/analysisdata/analysisdata.h +%%LEGACY%%include/gromacs/analysisdata/arraydata.h +%%LEGACY%%include/gromacs/analysisdata/dataframe.h +%%LEGACY%%include/gromacs/analysisdata/datamodule.h +%%LEGACY%%include/gromacs/analysisdata/modules/average.h +%%LEGACY%%include/gromacs/analysisdata/modules/displacement.h +%%LEGACY%%include/gromacs/analysisdata/modules/histogram.h +%%LEGACY%%include/gromacs/analysisdata/modules/lifetime.h +%%LEGACY%%include/gromacs/analysisdata/modules/plot.h +%%LEGACY%%include/gromacs/fileio/confio.h +%%LEGACY%%include/gromacs/fileio/filetypes.h +%%LEGACY%%include/gromacs/fileio/oenv.h +%%LEGACY%%include/gromacs/fileio/pdbio.h +%%LEGACY%%include/gromacs/fileio/tpxio.h +%%LEGACY%%include/gromacs/fileio/trxio.h include/gromacs/math/do_fit.h include/gromacs/math/functions.h include/gromacs/math/units.h include/gromacs/math/utilities.h include/gromacs/math/vec.h include/gromacs/math/vectypes.h +%%LEGACY%%include/gromacs/mdtypes/inputrec.h +%%LEGACY%%include/gromacs/mdtypes/md_enums.h +%%LEGACY%%include/gromacs/options.h +%%LEGACY%%include/gromacs/options/abstractoption.h +%%LEGACY%%include/gromacs/options/basicoptions.h +%%LEGACY%%include/gromacs/options/filenameoption.h +%%LEGACY%%include/gromacs/options/filenameoptionmanager.h +%%LEGACY%%include/gromacs/options/ioptionsbehavior.h +%%LEGACY%%include/gromacs/options/ioptionscontainer.h +%%LEGACY%%include/gromacs/options/ioptionscontainerwithsections.h +%%LEGACY%%include/gromacs/options/ivaluestore.h +%%LEGACY%%include/gromacs/options/optionfiletype.h +%%LEGACY%%include/gromacs/options/optionflags.h +%%LEGACY%%include/gromacs/options/options.h +%%LEGACY%%include/gromacs/options/timeunitmanager.h +%%LEGACY%%include/gromacs/pbcutil/pbc.h include/gromacs/restraint/restraintpotential.h +%%LEGACY%%include/gromacs/selection.h +%%LEGACY%%include/gromacs/selection/indexutil.h +%%LEGACY%%include/gromacs/selection/nbsearch.h +%%LEGACY%%include/gromacs/selection/position.h +%%LEGACY%%include/gromacs/selection/selection.h +%%LEGACY%%include/gromacs/selection/selectioncollection.h +%%LEGACY%%include/gromacs/selection/selectionenums.h +%%LEGACY%%include/gromacs/selection/selectionoption.h +%%LEGACY%%include/gromacs/selection/selectionoptionbehavior.h +%%LEGACY%%include/gromacs/selection/selectionoptionmanager.h +%%LEGACY%%include/gromacs/topology/atomprop.h +%%LEGACY%%include/gromacs/topology/atoms.h +%%LEGACY%%include/gromacs/topology/block.h +%%LEGACY%%include/gromacs/topology/forcefieldparameters.h +%%LEGACY%%include/gromacs/topology/idef.h +%%LEGACY%%include/gromacs/topology/ifunc.h +%%LEGACY%%include/gromacs/topology/index.h +%%LEGACY%%include/gromacs/topology/symtab.h +%%LEGACY%%include/gromacs/topology/topology.h +%%LEGACY%%include/gromacs/trajectory/trajectoryframe.h +%%LEGACY%%include/gromacs/trajectoryanalysis.h +%%LEGACY%%include/gromacs/trajectoryanalysis/analysismodule.h +%%LEGACY%%include/gromacs/trajectoryanalysis/analysissettings.h +%%LEGACY%%include/gromacs/trajectoryanalysis/cmdlinerunner.h +%%LEGACY%%include/gromacs/trajectoryanalysis/topologyinformation.h +%%LEGACY%%include/gromacs/utility/arrayref.h include/gromacs/utility/basedefinitions.h +%%LEGACY%%%%LEGACY%%include/gromacs/utility/baseversion.h +%%LEGACY%%%%LEGACY%%include/gromacs/utility/classhelpers.h include/gromacs/utility/current_function.h +%%LEGACY%%include/gromacs/utility/enumerationhelpers.h +%%LEGACY%%include/gromacs/utility/exceptions.h +%%LEGACY%%include/gromacs/utility/fileptr.h +%%LEGACY%%include/gromacs/utility/flags.h +%%LEGACY%%include/gromacs/utility/futil.h include/gromacs/utility/gmxassert.h +%%LEGACY%%include/gromacs/utility/pleasecite.h +%%LEGACY%%include/gromacs/utility/programcontext.h +%%LEGACY%%include/gromacs/utility/range.h include/gromacs/utility/real.h +%%LEGACY%%include/gromacs/utility/smalloc.h +%%LEGACY%%include/gromacs/utility/stringutil.h +%%LEGACY%%include/gromacs/utility/unique_cptr.h +%%LEGACY%%include/gromacs/version.h lib/libgmxapi%%SUFFIX_MPI%%.so lib/libgmxapi%%SUFFIX_MPI%%.so.0 lib/libgmxapi%%SUFFIX_MPI%%.so.0.1.0 @@ -62,6 +135,11 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%OPENCL%%%%DATADIR%%/opencl/nbnxn_ocl_kernels_fastgen.clh %%OPENCL%%%%DATADIR%%/opencl/nbnxn_ocl_kernels_fastgen_add_twincut.clh %%OPENCL%%%%DATADIR%%/opencl/vectype_ops.clh +%%LEGACY%%%%DATADIR%%/template/CMakeLists.txt +%%LEGACY%%%%DATADIR%%/template/Makefile.pkg +%%LEGACY%%%%DATADIR%%/template/README +%%LEGACY%%%%DATADIR%%/template/cmake/FindGROMACS.cmake +%%LEGACY%%%%DATADIR%%/template/template.cpp %%DATADIR%%/top/README %%DATADIR%%/top/amber03.ff/aminoacids.arn %%DATADIR%%/top/amber03.ff/aminoacids.c.tdb