Date: Tue, 22 Jan 2019 02:02:15 +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: r490922 - head/science/gromacs Message-ID: <201901220202.x0M22Fv8053228@repo.freebsd.org>
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Author: yuri Date: Tue Jan 22 02:02:15 2019 New Revision: 490922 URL: https://svnweb.freebsd.org/changeset/ports/490922 Log: science/gromacs: Update 2018.4 -> 2019 Reported by: repology Modified: head/science/gromacs/Makefile head/science/gromacs/distinfo head/science/gromacs/pkg-plist Modified: head/science/gromacs/Makefile ============================================================================== --- head/science/gromacs/Makefile Tue Jan 22 00:52:57 2019 (r490921) +++ head/science/gromacs/Makefile Tue Jan 22 02:02:15 2019 (r490922) @@ -2,8 +2,7 @@ # $FreeBSD$ PORTNAME= gromacs -DISTVERSION= 2018.4 -PORTREVISION= 2 +DISTVERSION= 2019 CATEGORIES= science MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/ Modified: head/science/gromacs/distinfo ============================================================================== --- head/science/gromacs/distinfo Tue Jan 22 00:52:57 2019 (r490921) +++ head/science/gromacs/distinfo Tue Jan 22 02:02:15 2019 (r490922) @@ -1,3 +1,3 @@ -TIMESTAMP = 1542246014 -SHA256 (gromacs-2018.4.tar.gz) = 6f2ee458c730994a8549d6b4f601ecfc9432731462f8bd4ffa35d330d9aaa891 -SIZE (gromacs-2018.4.tar.gz) = 29918276 +TIMESTAMP = 1548121616 +SHA256 (gromacs-2019.tar.gz) = c5b281a5f0b5b4eeb1f4c7d4dc72f96985b566561ca28acc9c7c16f6ee110d0b +SIZE (gromacs-2019.tar.gz) = 33428725 Modified: head/science/gromacs/pkg-plist ============================================================================== --- head/science/gromacs/pkg-plist Tue Jan 22 00:52:57 2019 (r490921) +++ head/science/gromacs/pkg-plist Tue Jan 22 02:02:15 2019 (r490922) @@ -28,6 +28,7 @@ include/gromacs/commandline/cmdlineprogramcontext.h include/gromacs/commandline/filenm.h include/gromacs/commandline/pargs.h include/gromacs/commandline/viewit.h +include/gromacs/compat/make_unique.h include/gromacs/fft/fft.h include/gromacs/fileio/confio.h include/gromacs/fileio/enxio.h @@ -49,8 +50,8 @@ include/gromacs/gpu_utils/hostallocator.h include/gromacs/linearalgebra/eigensolver.h include/gromacs/linearalgebra/matrix.h include/gromacs/linearalgebra/sparsematrix.h -include/gromacs/listed-forces/listed-forces.h include/gromacs/math/3dtransforms.h +include/gromacs/math/arrayrefwithpadding.h include/gromacs/math/do_fit.h include/gromacs/math/functions.h include/gromacs/math/gmxcomplex.h @@ -59,6 +60,7 @@ include/gromacs/math/units.h include/gromacs/math/utilities.h include/gromacs/math/vec.h include/gromacs/math/vectypes.h +include/gromacs/mdlib/simulationsignal.h include/gromacs/mdtypes/inputrec.h include/gromacs/mdtypes/md_enums.h include/gromacs/mdtypes/mdatom.h @@ -93,6 +95,7 @@ include/gromacs/random/tabulatednormaldistribution.h include/gromacs/random/threefry.h include/gromacs/random/uniformintdistribution.h include/gromacs/random/uniformrealdistribution.h +include/gromacs/restraint/restraintpotential.h include/gromacs/selection.h include/gromacs/selection/indexutil.h include/gromacs/selection/nbsearch.h @@ -108,17 +111,20 @@ include/gromacs/timing/walltime_accounting.h include/gromacs/topology/atomprop.h include/gromacs/topology/atoms.h include/gromacs/topology/block.h +include/gromacs/topology/forcefieldparameters.h include/gromacs/topology/idef.h +include/gromacs/topology/ifunc.h include/gromacs/topology/index.h include/gromacs/topology/mtop_util.h include/gromacs/topology/symtab.h include/gromacs/topology/topology.h -include/gromacs/trajectory/energy.h +include/gromacs/trajectory/energyframe.h include/gromacs/trajectory/trajectoryframe.h include/gromacs/trajectoryanalysis.h include/gromacs/trajectoryanalysis/analysismodule.h include/gromacs/trajectoryanalysis/analysissettings.h include/gromacs/trajectoryanalysis/cmdlinerunner.h +include/gromacs/trajectoryanalysis/topologyinformation.h include/gromacs/utility.h include/gromacs/utility/alignedallocator.h include/gromacs/utility/allocator.h @@ -133,6 +139,7 @@ include/gromacs/utility/datafilefinder.h include/gromacs/utility/errorcodes.h include/gromacs/utility/exceptions.h include/gromacs/utility/fatalerror.h +include/gromacs/utility/fileptr.h include/gromacs/utility/flags.h include/gromacs/utility/futil.h include/gromacs/utility/gmxassert.h @@ -141,10 +148,11 @@ include/gromacs/utility/programcontext.h include/gromacs/utility/real.h include/gromacs/utility/smalloc.h include/gromacs/utility/stringutil.h +include/gromacs/utility/unique_cptr.h include/gromacs/version.h lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so -lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.3 -lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.3.4.0 +lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.4 +lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.4.0.0 libdata/pkgconfig/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.pc man/man1/gmx-anadock.1.gz man/man1/gmx-anaeig.1.gz @@ -214,6 +222,7 @@ man/man1/gmx-potential.1.gz man/man1/gmx-principal.1.gz man/man1/gmx-rama.1.gz man/man1/gmx-rdf.1.gz +man/man1/gmx-report-methods.1.gz man/man1/gmx-rms.1.gz man/man1/gmx-rmsdist.1.gz man/man1/gmx-rmsf.1.gz @@ -284,7 +293,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/amber03.ff/ffnonbonded.itp %%DATADIR%%/top/amber03.ff/forcefield.doc %%DATADIR%%/top/amber03.ff/forcefield.itp -%%DATADIR%%/top/amber03.ff/gbsa.itp %%DATADIR%%/top/amber03.ff/ions.itp %%DATADIR%%/top/amber03.ff/rna.arn %%DATADIR%%/top/amber03.ff/rna.hdb @@ -314,7 +322,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/amber94.ff/ffnonbonded.itp %%DATADIR%%/top/amber94.ff/forcefield.doc %%DATADIR%%/top/amber94.ff/forcefield.itp -%%DATADIR%%/top/amber94.ff/gbsa.itp %%DATADIR%%/top/amber94.ff/ions.itp %%DATADIR%%/top/amber94.ff/rna.arn %%DATADIR%%/top/amber94.ff/rna.hdb @@ -344,7 +351,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/amber96.ff/ffnonbonded.itp %%DATADIR%%/top/amber96.ff/forcefield.doc %%DATADIR%%/top/amber96.ff/forcefield.itp -%%DATADIR%%/top/amber96.ff/gbsa.itp %%DATADIR%%/top/amber96.ff/ions.itp %%DATADIR%%/top/amber96.ff/rna.arn %%DATADIR%%/top/amber96.ff/rna.hdb @@ -374,7 +380,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/amber99.ff/ffnonbonded.itp %%DATADIR%%/top/amber99.ff/forcefield.doc %%DATADIR%%/top/amber99.ff/forcefield.itp -%%DATADIR%%/top/amber99.ff/gbsa.itp %%DATADIR%%/top/amber99.ff/ions.itp %%DATADIR%%/top/amber99.ff/rna.arn %%DATADIR%%/top/amber99.ff/rna.hdb @@ -404,7 +409,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/amber99sb-ildn.ff/ffnonbonded.itp %%DATADIR%%/top/amber99sb-ildn.ff/forcefield.doc %%DATADIR%%/top/amber99sb-ildn.ff/forcefield.itp -%%DATADIR%%/top/amber99sb-ildn.ff/gbsa.itp %%DATADIR%%/top/amber99sb-ildn.ff/ions.itp %%DATADIR%%/top/amber99sb-ildn.ff/rna.arn %%DATADIR%%/top/amber99sb-ildn.ff/rna.hdb @@ -434,7 +438,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/amber99sb.ff/ffnonbonded.itp %%DATADIR%%/top/amber99sb.ff/forcefield.doc %%DATADIR%%/top/amber99sb.ff/forcefield.itp -%%DATADIR%%/top/amber99sb.ff/gbsa.itp %%DATADIR%%/top/amber99sb.ff/ions.itp %%DATADIR%%/top/amber99sb.ff/rna.arn %%DATADIR%%/top/amber99sb.ff/rna.hdb @@ -464,7 +467,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/amberGS.ff/ffnonbonded.itp %%DATADIR%%/top/amberGS.ff/forcefield.doc %%DATADIR%%/top/amberGS.ff/forcefield.itp -%%DATADIR%%/top/amberGS.ff/gbsa.itp %%DATADIR%%/top/amberGS.ff/ions.itp %%DATADIR%%/top/amberGS.ff/rna.arn %%DATADIR%%/top/amberGS.ff/rna.hdb @@ -503,7 +505,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/charmm27.ff/ffnonbonded.itp %%DATADIR%%/top/charmm27.ff/forcefield.doc %%DATADIR%%/top/charmm27.ff/forcefield.itp -%%DATADIR%%/top/charmm27.ff/gb.itp %%DATADIR%%/top/charmm27.ff/ions.itp %%DATADIR%%/top/charmm27.ff/lipids.hdb %%DATADIR%%/top/charmm27.ff/lipids.rtp @@ -668,7 +669,6 @@ share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgroma %%DATADIR%%/top/oplsaa.ff/ffnonbonded.itp %%DATADIR%%/top/oplsaa.ff/forcefield.doc %%DATADIR%%/top/oplsaa.ff/forcefield.itp -%%DATADIR%%/top/oplsaa.ff/gbsa.itp %%DATADIR%%/top/oplsaa.ff/ions.itp %%DATADIR%%/top/oplsaa.ff/methanol.itp %%DATADIR%%/top/oplsaa.ff/spc.itp
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