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science/gromacs: Update 2019.5 -> 2020

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Reported by:	repology
This commit is contained in:
Yuri Victorovich 2020-01-12 01:13:06 +00:00
parent 4b7c886b53
commit a3bf3f5478
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=522739
3 changed files with 29 additions and 244 deletions
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2
science/gromacs/Makefile
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@ -2,7 +2,7 @@
# $FreeBSD$
PORTNAME= gromacs
DISTVERSION= 2019.5
DISTVERSION= 2020
CATEGORIES= science
MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/

6
science/gromacs/distinfo
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@ -1,3 +1,3 @@
TIMESTAMP = 1577172919
SHA256 (gromacs-2019.5.tar.gz) = 438061a4a2d45bbb5cf5c3aadd6c6df32d2d77ce8c715f1c8ffe56156994083a
SIZE (gromacs-2019.5.tar.gz) = 33445791
TIMESTAMP = 1578787337
SHA256 (gromacs-2020.tar.gz) = 477e56142b3dcd9cb61b8f67b24a55760b04d1655e8684f979a75a5eec40ba01
SIZE (gromacs-2020.tar.gz) = 28928068

265
science/gromacs/pkg-plist
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@ -5,257 +5,42 @@ bin/GMXRC.zsh
bin/demux.pl
bin/gmx%%SUFFIX_MPI%%%%SUFFIX_D%%
bin/gmx-completion-gmx%%SUFFIX_MPI%%%%SUFFIX_D%%.bash
bin/gmx-completion.bash
bin/xplor2gmx.pl
include/gromacs/analysisdata.h
include/gromacs/analysisdata/abstractdata.h
include/gromacs/analysisdata/analysisdata.h
include/gromacs/analysisdata/arraydata.h
include/gromacs/analysisdata/dataframe.h
include/gromacs/analysisdata/datamodule.h
include/gromacs/analysisdata/modules/average.h
include/gromacs/analysisdata/modules/displacement.h
include/gromacs/analysisdata/modules/histogram.h
include/gromacs/analysisdata/modules/lifetime.h
include/gromacs/analysisdata/modules/plot.h
include/gromacs/commandline.h
include/gromacs/commandline/cmdlinehelpwriter.h
include/gromacs/commandline/cmdlineinit.h
include/gromacs/commandline/cmdlinemodule.h
include/gromacs/commandline/cmdlineoptionsmodule.h
include/gromacs/commandline/cmdlineparser.h
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
include/gromacs/fileio/filetypes.h
include/gromacs/fileio/gmxfio.h
include/gromacs/fileio/matio.h
include/gromacs/fileio/mtxio.h
include/gromacs/fileio/oenv.h
include/gromacs/fileio/pdbio.h
include/gromacs/fileio/rgb.h
include/gromacs/fileio/tpxio.h
include/gromacs/fileio/trrio.h
include/gromacs/fileio/trxio.h
include/gromacs/fileio/xdr_datatype.h
include/gromacs/fileio/xtcio.h
include/gromacs/fileio/xvgr.h
include/gromacs/gmxana/gstat.h
include/gromacs/gpu_utils/hostallocator.h
include/gromacs/linearalgebra/eigensolver.h
include/gromacs/linearalgebra/matrix.h
include/gromacs/linearalgebra/sparsematrix.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
include/gromacs/math/paddedvector.h
include/gromacs/math/units.h
include/gromacs/math/utilities.h
include/gromacs/math/vec.h
include/gmxapi/compat/mdparams.h
include/gmxapi/compat/tpr.h
include/gmxapi/context.h
include/gmxapi/exceptions.h
include/gmxapi/gmxapi.h
include/gmxapi/gmxapicompat.h
include/gmxapi/gromacsfwd.h
include/gmxapi/md.h
include/gmxapi/md/mdmodule.h
include/gmxapi/md/mdsignals.h
include/gmxapi/session.h
include/gmxapi/session/resources.h
include/gmxapi/status.h
include/gmxapi/system.h
include/gmxapi/version.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
include/gromacs/mdtypes/state.h
include/gromacs/options.h
include/gromacs/options/abstractoption.h
include/gromacs/options/abstractsection.h
include/gromacs/options/basicoptions.h
include/gromacs/options/filenameoption.h
include/gromacs/options/filenameoptionmanager.h
include/gromacs/options/ioptionsbehavior.h
include/gromacs/options/ioptionscontainer.h
include/gromacs/options/ioptionscontainerwithsections.h
include/gromacs/options/isectionstorage.h
include/gromacs/options/ivaluestore.h
include/gromacs/options/optionfiletype.h
include/gromacs/options/optionflags.h
include/gromacs/options/options.h
include/gromacs/options/optionsection.h
include/gromacs/options/repeatingsection.h
include/gromacs/options/timeunitmanager.h
include/gromacs/options/valuestore.h
include/gromacs/pbcutil/ishift.h
include/gromacs/pbcutil/pbc.h
include/gromacs/pbcutil/rmpbc.h
include/gromacs/random.h
include/gromacs/random/exponentialdistribution.h
include/gromacs/random/gammadistribution.h
include/gromacs/random/normaldistribution.h
include/gromacs/random/seed.h
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
include/gromacs/selection/position.h
include/gromacs/selection/selection.h
include/gromacs/selection/selectioncollection.h
include/gromacs/selection/selectionenums.h
include/gromacs/selection/selectionoption.h
include/gromacs/selection/selectionoptionbehavior.h
include/gromacs/selection/selectionoptionmanager.h
include/gromacs/timing/wallcycle.h
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/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
include/gromacs/utility/arrayref.h
include/gromacs/utility/arraysize.h
include/gromacs/utility/basedefinitions.h
include/gromacs/utility/baseversion.h
include/gromacs/utility/classhelpers.h
include/gromacs/utility/cstringutil.h
include/gromacs/utility/current_function.h
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
include/gromacs/utility/init.h
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/libgmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%.so
lib/libgmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%.so.0
lib/libgmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%.so.0.1.0
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.4
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.4.0.0
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.5
lib/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.so.5.0.0
libdata/pkgconfig/libgromacs%%SUFFIX_MPI%%%%SUFFIX_D%%.pc
man/man1/gmx-anadock.1.gz
man/man1/gmx-anaeig.1.gz
man/man1/gmx-analyze.1.gz
man/man1/gmx-angle.1.gz
man/man1/gmx-awh.1.gz
man/man1/gmx-bar.1.gz
man/man1/gmx-bundle.1.gz
man/man1/gmx-check.1.gz
man/man1/gmx-chi.1.gz
man/man1/gmx-cluster.1.gz
man/man1/gmx-clustsize.1.gz
man/man1/gmx-confrms.1.gz
man/man1/gmx-convert-tpr.1.gz
man/man1/gmx-covar.1.gz
man/man1/gmx-current.1.gz
man/man1/gmx-density.1.gz
man/man1/gmx-densmap.1.gz
man/man1/gmx-densorder.1.gz
man/man1/gmx-dielectric.1.gz
man/man1/gmx-dipoles.1.gz
man/man1/gmx-disre.1.gz
man/man1/gmx-distance.1.gz
man/man1/gmx-do_dssp.1.gz
man/man1/gmx-dos.1.gz
man/man1/gmx-dump.1.gz
man/man1/gmx-dyecoupl.1.gz
man/man1/gmx-dyndom.1.gz
man/man1/gmx-editconf.1.gz
man/man1/gmx-eneconv.1.gz
man/man1/gmx-enemat.1.gz
man/man1/gmx-energy.1.gz
man/man1/gmx-filter.1.gz
man/man1/gmx-freevolume.1.gz
man/man1/gmx-gangle.1.gz
man/man1/gmx-genconf.1.gz
man/man1/gmx-genion.1.gz
man/man1/gmx-genrestr.1.gz
man/man1/gmx-grompp.1.gz
man/man1/gmx-gyrate.1.gz
man/man1/gmx-h2order.1.gz
man/man1/gmx-hbond.1.gz
man/man1/gmx-helix.1.gz
man/man1/gmx-helixorient.1.gz
man/man1/gmx-help.1.gz
man/man1/gmx-hydorder.1.gz
man/man1/gmx-insert-molecules.1.gz
man/man1/gmx-lie.1.gz
man/man1/gmx-make_edi.1.gz
man/man1/gmx-make_ndx.1.gz
man/man1/gmx-mdmat.1.gz
man/man1/gmx-mdrun.1.gz
man/man1/gmx-mindist.1.gz
man/man1/gmx-mk_angndx.1.gz
man/man1/gmx-morph.1.gz
man/man1/gmx-msd.1.gz
man/man1/gmx-nmeig.1.gz
man/man1/gmx-nmens.1.gz
man/man1/gmx-nmr.1.gz
man/man1/gmx-nmtraj.1.gz
man/man1/gmx-order.1.gz
man/man1/gmx-pairdist.1.gz
man/man1/gmx-pdb2gmx.1.gz
man/man1/gmx-pme_error.1.gz
man/man1/gmx-polystat.1.gz
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
man/man1/gmx-rotacf.1.gz
man/man1/gmx-rotmat.1.gz
man/man1/gmx-saltbr.1.gz
man/man1/gmx-sans.1.gz
man/man1/gmx-sasa.1.gz
man/man1/gmx-saxs.1.gz
man/man1/gmx-select.1.gz
man/man1/gmx-sham.1.gz
man/man1/gmx-sigeps.1.gz
man/man1/gmx-solvate.1.gz
man/man1/gmx-sorient.1.gz
man/man1/gmx-spatial.1.gz
man/man1/gmx-spol.1.gz
man/man1/gmx-tcaf.1.gz
man/man1/gmx-traj.1.gz
man/man1/gmx-trajectory.1.gz
man/man1/gmx-trjcat.1.gz
man/man1/gmx-trjconv.1.gz
man/man1/gmx-trjorder.1.gz
man/man1/gmx-tune_pme.1.gz
man/man1/gmx-vanhove.1.gz
man/man1/gmx-velacc.1.gz
man/man1/gmx-view.1.gz
man/man1/gmx-wham.1.gz
man/man1/gmx-wheel.1.gz
man/man1/gmx-x2top.1.gz
man/man1/gmx-xpm2ps.1.gz
man/man1/gmx.1.gz
share/cmake/gmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%/gmxapi-config-version.cmake
share/cmake/gmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%/gmxapi-config.cmake
share/cmake/gmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%/gmxapi-%%CMAKE_BUILD_TYPE%%.cmake
share/cmake/gmxapi%%SUFFIX_MPI%%%%SUFFIX_D%%/gmxapi.cmake
share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%-config-version.cmake
share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%-config.cmake
share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%-toolchain.cmake
share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgromacs-%%CMAKE_BUILD_TYPE%%.cmake
share/cmake/gromacs%%SUFFIX_MPI%%%%SUFFIX_D%%/libgromacs.cmake
%%DATADIR%%/COPYING