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pkgbase = python-mdanalysis
pkgdesc = An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
pkgver = 2.9.0
pkgrel = 1
url = http://www.mdanalysis.org/
arch = x86_64
license = LGPL-3.0-or-later
makedepends = python-build
makedepends = python-installer
makedepends = python-wheel
depends = python-numpy
depends = cython
depends = python-mmtf
depends = python-gsd
depends = python-tqdm
depends = python-griddataformats
depends = python-scipy
depends = python-biopython
depends = python-fasteners
depends = python-packaging
depends = python-build
depends = python-installer
optdepends = python-matplotlib: to use all MDAnalysis functions
optdepends = python-joblib: to use all MDAnalysis functions
optdepends = python-netcdf4: to operate on AMBER binary trajectories
optdepends = python-networkx: for analysis of lipid leaflets via MDAnalysis.analysis.leaflet
source = https://github.com/MDAnalysis/mdanalysis/archive/refs/tags/package-2.9.0.tar.gz
source = 0001-Allow-using-newer-numpy.patch
sha256sums = 7bfc21d4777d84120421df742be56664e0b7b6a1b6b4faf307db39cf23764a47
sha256sums = 964e9e7550f2e4833290f4e89c3d6ef81aca352e0759ec89e7923d81e6c4ca83
pkgname = python-mdanalysis
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