summarylogtreecommitdiffstats
path: root/.SRCINFO
blob: 05a025e7be5ddb17e832c87fbe80a41471e4fd19 (plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
pkgbase = python-mdtraj
	pkgdesc = A modern, open library for the analysis of molecular dynamics trajectories
	pkgver = 1.9.6
	pkgrel = 1
	url = http://mdtraj.org/
	arch = x86_64
	license = LGPL
	makedepends = python-setuptools
	makedepends = cython
	options = !libtool
	source = https://github.com/SimTk/mdtraj/archive/1.9.6.tar.gz
	sha256sums = c0614710e65f47701751c697db90638aa382bf650edde48c497dd8514cf13593

pkgname = python-mdtraj
	depends = python-numpy
	optdepends = python-scipy: For loading and saving AMBER netcdf formatted trajectories.
	optdepends = python-pandas: Some functionality, including mol2 parsing, requires pandas.
	optdepends = python-nose: To run tests.
	optdepends = python-scripttest: To run some of the tests with nose "nosetest -v mdtraj".
	optdepends = python-networkx: Required for some of the functions
	optdepends = python-pytables: Working with HDF5 formatted trajectories requires the PyTables package.