gromacs-2023-1.mga9 RPM for x86_64

From Mageia 9 for x86_64 / media / core / release

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

• gromacs
• gromacs(x86-64)
• libgmxapi.so.0()(64bit)
• libgromacs.so.8()(64bit)
• libnblib_gmx.so.0()(64bit)

Requires

• fftw >= 3.0.1
• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.14)(64bit)
• libc.so.6(GLIBC_2.15)(64bit)
• libc.so.6(GLIBC_2.17)(64bit)
• libc.so.6(GLIBC_2.2.5)(64bit)
• libc.so.6(GLIBC_2.3.2)(64bit)
• libc.so.6(GLIBC_2.3.4)(64bit)
• libc.so.6(GLIBC_2.32)(64bit)
• libc.so.6(GLIBC_2.34)(64bit)
• libc.so.6(GLIBC_2.4)(64bit)
• libc.so.6(GLIBC_2.7)(64bit)
• libfftw3f.so.3()(64bit)
• libgcc_s.so.1()(64bit)
• libgcc_s.so.1(GCC_3.0)(64bit)
• libgomp.so.1()(64bit)
• libgomp.so.1(GOMP_1.0)(64bit)
• libgomp.so.1(GOMP_4.0)(64bit)
• libgomp.so.1(GOMP_4.5)(64bit)
• libgomp.so.1(OMP_1.0)(64bit)
• libgromacs.so.8()(64bit)
• libhwloc.so.15()(64bit)
• liblmfit.so.8()(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.2.5)(64bit)
• libm.so.6(GLIBC_2.27)(64bit)
• libm.so.6(GLIBC_2.29)(64bit)
• libm.so.6(GLIBC_2.35)(64bit)
• libmuparser.so.2()(64bit)
• libopenblas.so.0()(64bit)
• libstdc++.so.6()(64bit)
• libstdc++.so.6(CXXABI_1.3)(64bit)
• libstdc++.so.6(CXXABI_1.3.11)(64bit)
• libstdc++.so.6(CXXABI_1.3.13)(64bit)
• libstdc++.so.6(CXXABI_1.3.3)(64bit)
• libstdc++.so.6(CXXABI_1.3.5)(64bit)
• libstdc++.so.6(CXXABI_1.3.8)(64bit)
• libstdc++.so.6(CXXABI_1.3.9)(64bit)
• libstdc++.so.6(GLIBCXX_3.4)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.11)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.14)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.15)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.18)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.19)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.20)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.21)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.22)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.26)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.29)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.9)(64bit)
• perl(strict)
• perl-base >= 2:5.36.0
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1

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/1d
/usr/lib/.build-id/1d/97aff9b555d763b62c1803b93b7bc89e20b96a
/usr/lib/.build-id/85
/usr/lib/.build-id/85/5d1669e2fb8df8e51babaab90007f1635c4e53
/usr/lib/.build-id/c2
/usr/lib/.build-id/c2/ce0f3950eab06bfa975a3bd4f4ed2b672fb854
/usr/lib/.build-id/f5
/usr/lib/.build-id/f5/87dcb12b0d1dd42411f044d42acf845efd29cc
/usr/lib64/libgmxapi.so.0
/usr/lib64/libgmxapi.so.0.4.0
/usr/lib64/libgromacs.so.8
/usr/lib64/libgromacs.so.8.0.0
/usr/lib64/libnblib_gmx.so.0
/usr/lib64/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
/usr/share/gromacs/top/amber96.ff/ffnonbonded.itp
/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
/usr/share/gromacs/top/amber96.ff/rna.r2b
/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
/usr/share/gromacs/top/amber99sb-ildn.ff/aminoacids.vsd
/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
/usr/share/gromacs/top/amber99sb-ildn.ff/rna.hdb
/usr/share/gromacs/top/amber99sb-ildn.ff/rna.r2b
/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
/usr/share/gromacs/top/amber99sb-ildn.ff/urea.itp
/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
/usr/share/gromacs/top/amber99sb.ff/rna.arn
/usr/share/gromacs/top/amber99sb.ff/rna.hdb
/usr/share/gromacs/top/amber99sb.ff/rna.r2b
/usr/share/gromacs/top/amber99sb.ff/rna.rtp
/usr/share/gromacs/top/amber99sb.ff/spc.itp
/usr/share/gromacs/top/amber99sb.ff/spce.itp
/usr/share/gromacs/top/amber99sb.ff/tip3p.itp
/usr/share/gromacs/top/amber99sb.ff/tip4p.itp
/usr/share/gromacs/top/amber99sb.ff/tip4pew.itp
/usr/share/gromacs/top/amber99sb.ff/tip5p.itp
/usr/share/gromacs/top/amber99sb.ff/urea.itp
/usr/share/gromacs/top/amber99sb.ff/watermodels.dat
/usr/share/gromacs/top/amberGS.ff
/usr/share/gromacs/top/amberGS.ff/aminoacids.arn
/usr/share/gromacs/top/amberGS.ff/aminoacids.c.tdb
/usr/share/gromacs/top/amberGS.ff/aminoacids.hdb
/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
/usr/share/gromacs/top/amberGS.ff/ffnonbonded.itp
/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
/usr/share/gromacs/top/amberGS.ff/rna.r2b
/usr/share/gromacs/top/amberGS.ff/rna.rtp
/usr/share/gromacs/top/amberGS.ff/spc.itp
/usr/share/gromacs/top/amberGS.ff/spce.itp
/usr/share/gromacs/top/amberGS.ff/tip3p.itp
/usr/share/gromacs/top/amberGS.ff/tip4p.itp
/usr/share/gromacs/top/amberGS.ff/tip4pew.itp
/usr/share/gromacs/top/amberGS.ff/tip5p.itp
/usr/share/gromacs/top/amberGS.ff/urea.itp
/usr/share/gromacs/top/amberGS.ff/watermodels.dat
/usr/share/gromacs/top/atom_nom.tbl
/usr/share/gromacs/top/atommass.dat
/usr/share/gromacs/top/bonds.dlg
/usr/share/gromacs/top/ca-shift.dat
/usr/share/gromacs/top/cb-shift.dat
/usr/share/gromacs/top/charmm27.ff
/usr/share/gromacs/top/charmm27.ff/aminoacids.arn
/usr/share/gromacs/top/charmm27.ff/aminoacids.c.tdb
/usr/share/gromacs/top/charmm27.ff/aminoacids.hdb
/usr/share/gromacs/top/charmm27.ff/aminoacids.n.tdb
/usr/share/gromacs/top/charmm27.ff/aminoacids.r2b
/usr/share/gromacs/top/charmm27.ff/aminoacids.rtp
/usr/share/gromacs/top/charmm27.ff/aminoacids.vsd
/usr/share/gromacs/top/charmm27.ff/atomtypes.atp
/usr/share/gromacs/top/charmm27.ff/cmap.itp
/usr/share/gromacs/top/charmm27.ff/dna.arn
/usr/share/gromacs/top/charmm27.ff/dna.c.tdb
/usr/share/gromacs/top/charmm27.ff/dna.hdb
/usr/share/gromacs/top/charmm27.ff/dna.n.tdb
/usr/share/gromacs/top/charmm27.ff/dna.rtp
/usr/share/gromacs/top/charmm27.ff/ffbonded.itp
/usr/share/gromacs/top/charmm27.ff/ffnabonded.itp
/usr/share/gromacs/top/charmm27.ff/ffnanonbonded.itp
/usr/share/gromacs/top/charmm27.ff/ffnonbonded.itp
/usr/share/gromacs/top/charmm27.ff/forcefield.doc
/usr/share/gromacs/top/charmm27.ff/forcefield.itp
/usr/share/gromacs/top/charmm27.ff/ions.itp
/usr/share/gromacs/top/charmm27.ff/lipids.hdb
/usr/share/gromacs/top/charmm27.ff/lipids.rtp
/usr/share/gromacs/top/charmm27.ff/rna.arn
/usr/share/gromacs/top/charmm27.ff/rna.c.tdb
/usr/share/gromacs/top/charmm27.ff/rna.hdb
/usr/share/gromacs/top/charmm27.ff/rna.n.tdb
/usr/share/gromacs/top/charmm27.ff/rna.r2b
/usr/share/gromacs/top/charmm27.ff/rna.rtp
/usr/share/gromacs/top/charmm27.ff/spc.itp
/usr/share/gromacs/top/charmm27.ff/spce.itp
/usr/share/gromacs/top/charmm27.ff/tip3p.itp
/usr/share/gromacs/top/charmm27.ff/tip4p.itp
/usr/share/gromacs/top/charmm27.ff/tip5p.itp
/usr/share/gromacs/top/charmm27.ff/tips3p.itp
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Fabrice Bellet, Fri Nov 1 08:55:13 2024