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Package Details: plumed-mpi 2.8.1-1
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| 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: | 2022-11-21 10:38 (UTC) |
Dependencies (12)
- gsl (gsl-git)
- lapack (openblas-lapack-git, lapack-tmg, lapack-git, armpl, atlas-lapack, openblas-lapack-static, openblas-lapack)
- netcdf (netcdf-openmpi)
- openmpi (openmpi-git, openmpi-gcc10)
- zlib (zlib-static, zlib-git, zlib-ng-compat-git, zlib-ng-compat)
- vim (neovim-drop-in, vim-git, vim-qt-git, neovim-symlinks, vim-x11, neovim-vim-compat, gvim-wayland-lilydjwg-git, vim-clipboard, nvim-vim, vim-wayland, gvim-wayland, gvim-gtk2, gvim) (make)
- cython (cython3, cython-git) (optional) – Python module support
- gawk (optional) – partial tempering support
- graphviz (optional) – diagrams in manual
- python-setuptools (optional) – Python module support
- vmd-molfile-plugins (optional) – add capability to read vmd compatible trajectories
- xdrfile (optional) – GROMACS trajectory format support
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:
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.
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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