gromacs-2024.3-1.mga10 RPM for x86_64

From Mageia Cauldron 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.9()(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_2.38)(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)
• libgomp.so.1(OMP_3.0)(64bit)
• libgromacs.so.9()(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_1.3.15)(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_3.4.32)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.9)(64bit)
• perl(strict)
• perl(warnings)
• perl-base >= 2:5.40.0
• 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

* Sun Sep 15 2024 daviddavid <daviddavid> 2024.3-1.mga10
  + Revision: 2096747
  - new version: 2024.3
* Fri Jun 07 2024 daviddavid <daviddavid> 2024.2-1.mga10
  + Revision: 2070432
  - new version: 2024.2
* Tue Apr 23 2024 daviddavid <daviddavid> 2024.1-1.mga10
  + Revision: 2060663
  - new version: 2024.1
  - 32-bit archs officially unsupported
* Thu Feb 15 2024 daviddavid <daviddavid> 2024-1.mga10
  + Revision: 2041314
  - new version: 2024
* Thu Nov 02 2023 daviddavid <daviddavid> 2023.3-1.mga10
  + Revision: 2003521
  - new version: 2023.3
* Tue Sep 19 2023 daviddavid <daviddavid> 2023.2-1.mga10
  + Revision: 1988016
  - new version: 2023.2
* 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

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/4a
/usr/lib/.build-id/4a/ef65f1bad69e9709e7b07232db1a251f418f12
/usr/lib/.build-id/7b
/usr/lib/.build-id/7b/1b646de001b9e09d2db366b18ea2cb06990ac7
/usr/lib/.build-id/8f
/usr/lib/.build-id/8f/ee923edd097424950697e9667c2658bb513c5b
/usr/lib/.build-id/a2
/usr/lib/.build-id/a2/3eeaa049869438b770c88c6e8ee397cacd087f
/usr/lib64/libgmxapi.so.0
/usr/lib64/libgmxapi.so.0.4.0
/usr/lib64/libgromacs.so.9
/usr/lib64/libgromacs.so.9.0.0
/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
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Fabrice Bellet, Mon Dec 2 12:58:13 2024