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pkgbase = plumed-mpi
pkgdesc = 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)
pkgver = 2.7.1
pkgrel = 2
url = http://www.plumed.org/
arch = i686
arch = x86_64
license = GPL
makedepends = vim
depends = lapack
depends = zlib
depends = gsl
depends = gcc10
depends = openmpi-gcc10
depends = netcdf
optdepends = vmd-molfile-plugins: add capability to read vmd compatible trajectories
optdepends = xdrfile: GROMACS trajectory format support
optdepends = python-setuptools: Python module support
optdepends = cython: Python module support
optdepends = graphviz: diagrams in manual
optdepends = gawk: partial tempering support
source = https://github.com/plumed/plumed2/releases/download/v2.7.1/plumed-2.7.1.tgz
sha256sums = 23b3fe1226ffecd514e93983fe398af284bec8b15f33998d5db7fc252c423604
pkgname = plumed-mpi
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