blob: a51c93e0f460a07359315356b4c429d79ec30bfe (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
|
pkgbase = python-mdanalysis
pkgdesc = An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
pkgver = 2.4.3
pkgrel = 1
url = http://www.mdanalysis.org/
arch = x86_64
license = GPL
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
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-2.4.3.tar.gz
source = 0001-Allow-using-newer-numpy.patch
sha256sums = 492c094a13bd739f641b395e4152e6c7362298ea73c35ff3faaa2aa017cf92f7
sha256sums = 2703eb79d45d072876c3df50a9dd214664013e39ddc7d5c32ca066602e126d2d
pkgname = python-mdanalysis
|