Thu, 19 Sep 2024 17:55:09 UTC | login

Information for RPM gromacs-2024.3-1.fc41.src.rpm

ID1449509
Namegromacs
Version2024.3
Release1.fc41
Epoch
Archsrc
SummaryFast, Free and Flexible Molecular Dynamics
DescriptionGROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package provides single and double precision binaries. The documentation is in the package gromacs-common. mdrun has been compiled with thread parallellization, so it runs in parallel on shared memory systems. If you want to run on a cluster, you probably want to install one of the MPI parallellized packages. N.B. All binaries have names starting with g_, for example mdrun has been renamed to g_mdrun.
Build Time2024-09-17 09:16:43 GMT
Size83.19 MB
d9645e6615c4b70a319372c092d82e8a
LicenseGPL-2.0-or-later
Buildrootf41-build-847509-163983
Provides
gromacs = 2024.3-1.fc41
gromacs-common = 2024.3-1.fc41
gromacs-devel = 2024.3-1.fc41
gromacs-doc = 2024.3-1.fc41
gromacs-libs = 2024.3-1.fc41
gromacs-mpich = 2024.3-1.fc41
gromacs-opencl = 2024.3-1.fc41
gromacs-openmpi = 2024.3-1.fc41
Obsoletes No Obsoletes
Conflicts No Conflicts
Requires
cmake3 >= 3.4.3
fftw-devel
flexiblas-devel
gcc-c++
gsl-devel
hwloc
hwloc-devel
libX11-devel
lmfit-devel >= 6.0
mpich-devel
muParser-devel
ocl-icd-devel
opencl-headers
openmpi-devel
perl(Carp)
perl(Cwd)
perl(Exporter)
perl(File::Basename)
perl(File::Copy)
perl(File::Spec)
perl(List::Util)
perl(lib)
perl(strict)
perl(vars)
rpmlib(CompressedFileNames) <= 3.0.4-1
rpmlib(FileDigests) <= 4.6.0-1
tng-devel
Recommends No Recommends
Suggests No Suggests
Supplements No Supplements
Enhances No Enhances
Files
1 through 5 of 5
Name ascending sort Size
gromacs-2024.3.tar.gz40.41 MB
gromacs-README.fedora901.00 B
gromacs.spec33.08 KB
manual-2024.3.pdf13.04 MB
regressiontests-2024.3.tar.gz31.26 MB
Component of No Buildroots