Date: Fri, 18 Dec 2020 01:21:01 +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: r558341 - head/science/gromacs Message-ID: <202012180121.0BI1L170085426@repo.freebsd.org>
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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
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