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gromacs-2023-1.mga9 RPM for i586

From Mageia 9 for i586 / media / core / release

Name: gromacs Distribution: Mageia
Version: 2023 Vendor: Mageia.Org
Release: 1.mga9 Build date: Sat Feb 18 08:39:24 2023
Group: Sciences/Chemistry Build host: localhost
Size: 22542081 Source RPM: gromacs-2023-1.mga9.src.rpm
Packager: daviddavid <daviddavid>
Url: https://www.gromacs.org/
Summary: Molecular dynamics package (non-mpi version)
GROMACS is a versatile and extremely well optimized package
to perform molecular dynamics computer simulations and
subsequent trajectory analysis. It is developed for
biomolecules like proteins, but the extremely high
performance means it is used also in several other field
like polymer chemistry and solid state physics.

Provides

Requires

License

LGPLv2+

Changelog

* Sat Feb 18 2023 daviddavid <daviddavid> 2023-1.mga9
  + Revision: 1943862
  - new version: 2023
  - use system openblas/lapack
  - use system muparser and lmfit
  - enable hwloc support
* Thu Mar 31 2022 umeabot <umeabot> 5.0.7-4.mga9
  + Revision: 1837538
  - Mageia 9 Mass Rebuild

Files

/usr/bin/GMXRC
/usr/bin/GMXRC.bash
/usr/bin/GMXRC.csh
/usr/bin/GMXRC.zsh
/usr/bin/demux.pl
/usr/bin/gmx
/usr/bin/gmx-completion-gmx.bash
/usr/bin/gmx-completion.bash
/usr/bin/xplor2gmx.pl
/usr/lib/.build-id
/usr/lib/.build-id/0d
/usr/lib/.build-id/0d/1a621b98e93f028407c37f3e678d5cd93d3767
/usr/lib/.build-id/22
/usr/lib/.build-id/22/f86c9ea714f05332c4e00c41dc22ae457464fe
/usr/lib/.build-id/a7
/usr/lib/.build-id/a7/0585426f1f991d0276530199d5e8362b55112b
/usr/lib/.build-id/c3
/usr/lib/.build-id/c3/092e48746073a4836a97810764d1f3e258aacd
/usr/lib/libgmxapi.so.0
/usr/lib/libgmxapi.so.0.4.0
/usr/lib/libgromacs.so.8
/usr/lib/libgromacs.so.8.0.0
/usr/lib/libnblib_gmx.so.0
/usr/lib/libnblib_gmx.so.0.1.0
/usr/share/doc/gromacs
/usr/share/doc/gromacs/AUTHORS
/usr/share/doc/gromacs/README
/usr/share/gromacs
/usr/share/gromacs/COPYING
/usr/share/gromacs/README.tutor
/usr/share/gromacs/README_FreeEnergyModifications.txt
/usr/share/gromacs/top
/usr/share/gromacs/top/README
/usr/share/gromacs/top/amber03.ff
/usr/share/gromacs/top/amber03.ff/aminoacids.arn
/usr/share/gromacs/top/amber03.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber03.ff/aminoacids.hdb
/usr/share/gromacs/top/amber03.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber03.ff/aminoacids.r2b
/usr/share/gromacs/top/amber03.ff/aminoacids.rtp
/usr/share/gromacs/top/amber03.ff/aminoacids.vsd
/usr/share/gromacs/top/amber03.ff/atomtypes.atp
/usr/share/gromacs/top/amber03.ff/dna.arn
/usr/share/gromacs/top/amber03.ff/dna.hdb
/usr/share/gromacs/top/amber03.ff/dna.r2b
/usr/share/gromacs/top/amber03.ff/dna.rtp
/usr/share/gromacs/top/amber03.ff/ffbonded.itp
/usr/share/gromacs/top/amber03.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber03.ff/forcefield.doc
/usr/share/gromacs/top/amber03.ff/forcefield.itp
/usr/share/gromacs/top/amber03.ff/ions.itp
/usr/share/gromacs/top/amber03.ff/rna.arn
/usr/share/gromacs/top/amber03.ff/rna.hdb
/usr/share/gromacs/top/amber03.ff/rna.r2b
/usr/share/gromacs/top/amber03.ff/rna.rtp
/usr/share/gromacs/top/amber03.ff/spc.itp
/usr/share/gromacs/top/amber03.ff/spce.itp
/usr/share/gromacs/top/amber03.ff/tip3p.itp
/usr/share/gromacs/top/amber03.ff/tip4p.itp
/usr/share/gromacs/top/amber03.ff/tip4pew.itp
/usr/share/gromacs/top/amber03.ff/tip5p.itp
/usr/share/gromacs/top/amber03.ff/urea.itp
/usr/share/gromacs/top/amber03.ff/watermodels.dat
/usr/share/gromacs/top/amber94.ff
/usr/share/gromacs/top/amber94.ff/aminoacids.arn
/usr/share/gromacs/top/amber94.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber94.ff/aminoacids.hdb
/usr/share/gromacs/top/amber94.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber94.ff/aminoacids.r2b
/usr/share/gromacs/top/amber94.ff/aminoacids.rtp
/usr/share/gromacs/top/amber94.ff/aminoacids.vsd
/usr/share/gromacs/top/amber94.ff/atomtypes.atp
/usr/share/gromacs/top/amber94.ff/dna.arn
/usr/share/gromacs/top/amber94.ff/dna.hdb
/usr/share/gromacs/top/amber94.ff/dna.r2b
/usr/share/gromacs/top/amber94.ff/dna.rtp
/usr/share/gromacs/top/amber94.ff/ffbonded.itp
/usr/share/gromacs/top/amber94.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber94.ff/forcefield.doc
/usr/share/gromacs/top/amber94.ff/forcefield.itp
/usr/share/gromacs/top/amber94.ff/ions.itp
/usr/share/gromacs/top/amber94.ff/rna.arn
/usr/share/gromacs/top/amber94.ff/rna.hdb
/usr/share/gromacs/top/amber94.ff/rna.r2b
/usr/share/gromacs/top/amber94.ff/rna.rtp
/usr/share/gromacs/top/amber94.ff/spc.itp
/usr/share/gromacs/top/amber94.ff/spce.itp
/usr/share/gromacs/top/amber94.ff/tip3p.itp
/usr/share/gromacs/top/amber94.ff/tip4p.itp
/usr/share/gromacs/top/amber94.ff/tip4pew.itp
/usr/share/gromacs/top/amber94.ff/tip5p.itp
/usr/share/gromacs/top/amber94.ff/urea.itp
/usr/share/gromacs/top/amber94.ff/watermodels.dat
/usr/share/gromacs/top/amber96.ff
/usr/share/gromacs/top/amber96.ff/aminoacids.arn
/usr/share/gromacs/top/amber96.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber96.ff/aminoacids.hdb
/usr/share/gromacs/top/amber96.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber96.ff/aminoacids.r2b
/usr/share/gromacs/top/amber96.ff/aminoacids.rtp
/usr/share/gromacs/top/amber96.ff/aminoacids.vsd
/usr/share/gromacs/top/amber96.ff/atomtypes.atp
/usr/share/gromacs/top/amber96.ff/dna.arn
/usr/share/gromacs/top/amber96.ff/dna.hdb
/usr/share/gromacs/top/amber96.ff/dna.r2b
/usr/share/gromacs/top/amber96.ff/dna.rtp
/usr/share/gromacs/top/amber96.ff/ffbonded.itp
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/usr/share/gromacs/top/amber96.ff/forcefield.doc
/usr/share/gromacs/top/amber96.ff/forcefield.itp
/usr/share/gromacs/top/amber96.ff/ions.itp
/usr/share/gromacs/top/amber96.ff/rna.arn
/usr/share/gromacs/top/amber96.ff/rna.hdb
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/usr/share/gromacs/top/amber96.ff/rna.rtp
/usr/share/gromacs/top/amber96.ff/spc.itp
/usr/share/gromacs/top/amber96.ff/spce.itp
/usr/share/gromacs/top/amber96.ff/tip3p.itp
/usr/share/gromacs/top/amber96.ff/tip4p.itp
/usr/share/gromacs/top/amber96.ff/tip4pew.itp
/usr/share/gromacs/top/amber96.ff/tip5p.itp
/usr/share/gromacs/top/amber96.ff/urea.itp
/usr/share/gromacs/top/amber96.ff/watermodels.dat
/usr/share/gromacs/top/amber99.ff
/usr/share/gromacs/top/amber99.ff/aminoacids.arn
/usr/share/gromacs/top/amber99.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber99.ff/aminoacids.hdb
/usr/share/gromacs/top/amber99.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber99.ff/aminoacids.r2b
/usr/share/gromacs/top/amber99.ff/aminoacids.rtp
/usr/share/gromacs/top/amber99.ff/aminoacids.vsd
/usr/share/gromacs/top/amber99.ff/atomtypes.atp
/usr/share/gromacs/top/amber99.ff/dna.arn
/usr/share/gromacs/top/amber99.ff/dna.hdb
/usr/share/gromacs/top/amber99.ff/dna.r2b
/usr/share/gromacs/top/amber99.ff/dna.rtp
/usr/share/gromacs/top/amber99.ff/ffbonded.itp
/usr/share/gromacs/top/amber99.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber99.ff/forcefield.doc
/usr/share/gromacs/top/amber99.ff/forcefield.itp
/usr/share/gromacs/top/amber99.ff/ions.itp
/usr/share/gromacs/top/amber99.ff/rna.arn
/usr/share/gromacs/top/amber99.ff/rna.hdb
/usr/share/gromacs/top/amber99.ff/rna.r2b
/usr/share/gromacs/top/amber99.ff/rna.rtp
/usr/share/gromacs/top/amber99.ff/spc.itp
/usr/share/gromacs/top/amber99.ff/spce.itp
/usr/share/gromacs/top/amber99.ff/tip3p.itp
/usr/share/gromacs/top/amber99.ff/tip4p.itp
/usr/share/gromacs/top/amber99.ff/tip4pew.itp
/usr/share/gromacs/top/amber99.ff/tip5p.itp
/usr/share/gromacs/top/amber99.ff/urea.itp
/usr/share/gromacs/top/amber99.ff/watermodels.dat
/usr/share/gromacs/top/amber99sb-ildn.ff
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.arn
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.hdb
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.r2b
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.rtp
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/usr/share/gromacs/top/amber99sb-ildn.ff/atomtypes.atp
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.arn
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.hdb
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.r2b
/usr/share/gromacs/top/amber99sb-ildn.ff/dna.rtp
/usr/share/gromacs/top/amber99sb-ildn.ff/ffbonded.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/forcefield.doc
/usr/share/gromacs/top/amber99sb-ildn.ff/forcefield.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/ions.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/rna.arn
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/usr/share/gromacs/top/amber99sb-ildn.ff/rna.rtp
/usr/share/gromacs/top/amber99sb-ildn.ff/spc.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/spce.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip3p.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip4p.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip4pew.itp
/usr/share/gromacs/top/amber99sb-ildn.ff/tip5p.itp
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/usr/share/gromacs/top/amber99sb-ildn.ff/watermodels.dat
/usr/share/gromacs/top/amber99sb.ff
/usr/share/gromacs/top/amber99sb.ff/aminoacids.arn
/usr/share/gromacs/top/amber99sb.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amber99sb.ff/aminoacids.hdb
/usr/share/gromacs/top/amber99sb.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amber99sb.ff/aminoacids.r2b
/usr/share/gromacs/top/amber99sb.ff/aminoacids.rtp
/usr/share/gromacs/top/amber99sb.ff/aminoacids.vsd
/usr/share/gromacs/top/amber99sb.ff/atomtypes.atp
/usr/share/gromacs/top/amber99sb.ff/dna.arn
/usr/share/gromacs/top/amber99sb.ff/dna.hdb
/usr/share/gromacs/top/amber99sb.ff/dna.r2b
/usr/share/gromacs/top/amber99sb.ff/dna.rtp
/usr/share/gromacs/top/amber99sb.ff/ffbonded.itp
/usr/share/gromacs/top/amber99sb.ff/ffnonbonded.itp
/usr/share/gromacs/top/amber99sb.ff/forcefield.doc
/usr/share/gromacs/top/amber99sb.ff/forcefield.itp
/usr/share/gromacs/top/amber99sb.ff/ions.itp
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/usr/share/gromacs/top/amber99sb.ff/spc.itp
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/usr/share/gromacs/top/amber99sb.ff/tip3p.itp
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/usr/share/gromacs/top/amberGS.ff/aminoacids.arn
/usr/share/gromacs/top/amberGS.ff/aminoacids.c.tdb
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/usr/share/gromacs/top/amberGS.ff/aminoacids.n.tdb
/usr/share/gromacs/top/amberGS.ff/aminoacids.r2b
/usr/share/gromacs/top/amberGS.ff/aminoacids.rtp
/usr/share/gromacs/top/amberGS.ff/aminoacids.vsd
/usr/share/gromacs/top/amberGS.ff/atomtypes.atp
/usr/share/gromacs/top/amberGS.ff/dna.arn
/usr/share/gromacs/top/amberGS.ff/dna.hdb
/usr/share/gromacs/top/amberGS.ff/dna.r2b
/usr/share/gromacs/top/amberGS.ff/dna.rtp
/usr/share/gromacs/top/amberGS.ff/ffbonded.itp
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/usr/share/gromacs/top/amberGS.ff/forcefield.doc
/usr/share/gromacs/top/amberGS.ff/forcefield.itp
/usr/share/gromacs/top/amberGS.ff/ions.itp
/usr/share/gromacs/top/amberGS.ff/rna.arn
/usr/share/gromacs/top/amberGS.ff/rna.hdb
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/usr/share/gromacs/top/charmm27.ff/dna.rtp
/usr/share/gromacs/top/charmm27.ff/ffbonded.itp
/usr/share/gromacs/top/charmm27.ff/ffnabonded.itp
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/usr/share/gromacs/top/charmm27.ff/lipids.hdb
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/usr/share/gromacs/top/charmm27.ff/rna.arn
/usr/share/gromacs/top/charmm27.ff/rna.c.tdb
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/usr/share/gromacs/top/charmm27.ff/rna.n.tdb
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/usr/share/gromacs/top/electroneg.dat
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/usr/share/gromacs/top/gromos43a1.ff/aminoacids.vsd
/usr/share/gromacs/top/gromos43a1.ff/atomtypes.atp
/usr/share/gromacs/top/gromos43a1.ff/ff_dum.itp
/usr/share/gromacs/top/gromos43a1.ff/ffbonded.itp
/usr/share/gromacs/top/gromos43a1.ff/ffnonbonded.itp
/usr/share/gromacs/top/gromos43a1.ff/forcefield.doc
/usr/share/gromacs/top/gromos43a1.ff/forcefield.itp
/usr/share/gromacs/top/gromos43a1.ff/ions.itp
/usr/share/gromacs/top/gromos43a1.ff/methanol.itp
/usr/share/gromacs/top/gromos43a1.ff/methanol216.gro
/usr/share/gromacs/top/gromos43a1.ff/spc.itp
/usr/share/gromacs/top/gromos43a1.ff/spce.itp
/usr/share/gromacs/top/gromos43a1.ff/tip3p.itp
/usr/share/gromacs/top/gromos43a1.ff/tip4p.itp
/usr/share/gromacs/top/gromos43a1.ff/watermodels.dat
/usr/share/gromacs/top/gromos43a2.ff
/usr/share/gromacs/top/gromos43a2.ff/aminoacids.c.tdb
/usr/share/gromacs/top/gromos43a2.ff/aminoacids.hdb
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/usr/share/gromacs/top/gromos43a2.ff/aminoacids.r2b
/usr/share/gromacs/top/gromos43a2.ff/aminoacids.rtp
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Fabrice Bellet, Fri Jul 12 02:25:02 2024