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Package Details: plumed-mpi 2.8.2-1

Package Actions

Git Clone URL:	https://aur.archlinux.org/plumed-mpi.git (read-only, click to copy)
Package Base:	plumed-mpi
Description:	An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines (with MPI support)
Upstream URL:	http://www.plumed.org/
Licenses:	GPL
Submitter:	dviktor
Maintainer:	Tenshi65535
Last Packager:	Tenshi65535
Votes:	1
Popularity:	0.000000
First Submitted:	2019-01-31 13:39 (UTC)
Last Updated:	2023-05-23 01:24 (UTC)

Dependencies (12)

gsl (gsl-git^AUR)
lapack (armpl^AUR, aocl-libflame-aocc^AUR, aocl-libflame^AUR, blas-aocl-gcc^AUR, blas-aocl-aocc^AUR, blas-mkl^AUR, lapack-git^AUR, atlas-lapack^AUR, openblas-lapack^AUR, blas-openblas)
netcdf (netcdf-openmpi)
openmpi (openmpi-git^AUR, openmpi-ucx^AUR)
zlib (zlib-ng-compat-git^AUR, zlib-git^AUR, zlib-ng-compat^AUR)
vim (neovim-drop-in^AUR, vim-git^AUR, vim-qt-git^AUR, neovim-symlinks^AUR, neovim-vim-compat^AUR, nvim-vim^AUR, vim-x11^AUR, vim-clipboard^AUR, gvim-wayland-lilydjwg-git^AUR, gvim-gtk2^AUR, gvim) (make)
cython (cython-git^AUR, cython0) (optional) – Python module support
gawk (gawk-git^AUR, busybox-coreutils^AUR) (optional) – partial tempering support
graphviz (optional) – diagrams in manual
python-setuptools (optional) – Python module support
vmd-molfile-plugins^AUR (optional) – add capability to read vmd compatible trajectories
xdrfile^AUR (optional) – GROMACS trajectory format support

Required by (2)

cp2k (optional)
pmemd (optional)

Sources (1)

https://github.com/plumed/plumed2/releases/download/v2.8.2/plumed-2.8.2.tgz

Latest Comments

dviktor commented on 2019-04-16 10:13 (UTC)

@hseara Thank you a lot for your contribution! Fixed now.

hseara commented on 2019-04-16 09:41 (UTC)

Hi dviktor, Why don't you use:

--program-suffix=mpi            append SUFFIX to installed program names

Then both plumed and plumed-mpi can coexist. Then you can remove plumed from "provides". This would be best as the mpi version does not provide the same capabilities as the non-mpi version. For example, you cannot compile non-mpi gromacs against it, that is what most arch users in their desktops will do.

Also please install the software in the canonical paths, i. e. /usr.

--prefix=/usr

This is always recommended in archlinux. The /opt directory is reserved for large self-contained programs, like CUDA, that it is not the case of plumed.

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