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gromacs-2022.3-1.fc37.src.rpm


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توضیحات

Fast, Free and Flexible Molecular Dynamics
ویژگی مقدار
سیستم عامل Linux
توزیع Fedora 37
مخزن Fedora Everything x86_64
نام بسته gromacs
نام فایل بسته gromacs-2022.3-1.fc37.src.rpm
نسخه بسته 2022.3
انتشار بسته 1.fc37
معماری بسته x86_64
نگهدارنده -
تاریخ ساخت Fri 16 Sep 2022 07
هاست سازنده buildvm-x86-21.iad2.fedoraproject.org
نوع بسته .rpm
آدرس صفحه اصلی http://www.gromacs.org
مجوز GPLv2+
حجم دانلود 96M
حجم نصب 97.361M
GROMACS 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.


جایگزین ها

بسته نسخه معماری مخزن
gromacs-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-2022.3-2.fc37.src.rpm 2022.3 x86_64 Fedora Everything
gromacs-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-common-2022.3-1.fc37.noarch.rpm 2022.3 noarch Fedora Everything
gromacs-common-2022.3-2.fc37.noarch.rpm 2022.3 noarch Fedora Everything
gromacs-debuginfo-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-debuginfo-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-debuginfo-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-debuginfo-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-debugsource-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-debugsource-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-debugsource-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-debugsource-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-devel-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-devel-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-devel-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-devel-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-doc-2022.3-1.fc37.noarch.rpm 2022.3 noarch Fedora Everything
gromacs-doc-2022.3-2.fc37.noarch.rpm 2022.3 noarch Fedora Everything
gromacs-libs-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-libs-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-libs-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-libs-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-libs-debuginfo-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-libs-debuginfo-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-libs-debuginfo-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-libs-debuginfo-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-mpich-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-mpich-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-mpich-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-mpich-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-mpich-debuginfo-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-mpich-debuginfo-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-mpich-debuginfo-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-mpich-debuginfo-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-opencl-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-opencl-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-opencl-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-opencl-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-openmpi-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-openmpi-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-openmpi-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-openmpi-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-openmpi-debuginfo-2022.3-1.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-openmpi-debuginfo-2022.3-1.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything
gromacs-openmpi-debuginfo-2022.3-2.fc37.aarch64.rpm 2022.3 aarch64 Fedora Everything
gromacs-openmpi-debuginfo-2022.3-2.fc37.x86_64.rpm 2022.3 x86_64 Fedora Everything


نیازمندی

مقدار نام
- bash-completion
>= 3.4.3 cmake3
- fftw-devel
- flexiblas-devel
- gcc-c++
- gsl-devel
- hwloc
- hwloc-devel
- libX11-devel
>= 6.0 lmfit-devel
- 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)
- tng-devel


ارائه دهنده

مقدار نام
= 2022.3-1.fc37 gromacs
= 2022.3-1.fc37 gromacs-common
= 2022.3-1.fc37 gromacs-opencl
= 2022.3-1.fc37 gromacs-doc
= 2022.3-1.fc37 gromacs-devel
= 2022.3-1.fc37 gromacs-libs
= 2022.3-1.fc37 gromacs-openmpi
= 2022.3-1.fc37 gromacs-mpich
= 2022.3-1.fc37 gromacs-debuginfo
= 2022.3-1.fc37 gromacs-debugsource


نحوه نصب


نصب پکیج rpm gromacs:

    dnf install gromacs-2022.3-1.fc37.src.rpm


فایل ها

مسیرها
gromacs-2022.3.tar.gz
gromacs-README.fedora
gromacs.spec
manual-2022.3.pdf


گزارش تغییرات

تاریخ آخرین تغییر جزئیات
2022-09-02

Update to 2022.3 (#2123647)

2022-07-21

Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild

2022-06-17

Version bump to v2022.2 (bug #2097747)

2022-04-22

Version bump to v2022.1 (bug #2057081)

2022-01-29

Version bump to v2021.5 (bug #1787785)

2022-01-20

Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild

2021-07-22

Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild

2021-01-26

Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild

2020-10-14

Add missing #includes for gcc-11