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# Maintainer: Hector Mtz-Seara (hseara#at#gmail#com)
# Maintainer: Vedran Miletic <vedran AT miletic DOT net>
pkgname=python-mdanalysis
pkgver=2.10.0
pkgrel=1
pkgdesc="An object-oriented python toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber."
url="http://www.mdanalysis.org/"
license=('LGPL-3.0-or-later')
arch=('x86_64')
depends=('python-numpy' 'cython' 'python-mmtf' 'python-gsd' 'python-tqdm' 'python-griddataformats' 'python-scipy' 'python-biopython' 'python-fasteners' 'python-packaging' 'python-build' 'python-installer')
makedepends=('python-build' 'python-installer' 'python-wheel')
optdepends=('python-matplotlib: to use all MDAnalysis functions'
'python-joblib: to use all MDAnalysis functions'
'python-netcdf4: to operate on AMBER binary trajectories'
'python-networkx: for analysis of lipid leaflets via MDAnalysis.analysis.leaflet')
source=("https://github.com/MDAnalysis/mdanalysis/archive/refs/tags/package-${pkgver}.tar.gz")
sha256sums=('4455745521a3d29f56c3a9cd9332b2cb69dfd7637b551d0f4172c12b1f9f33b6')
CFLAGS+=" -Wno-incompatible-pointer-types"
build() {
cd $srcdir/mdanalysis-package-$pkgver/package
export CFLAGS
python -m build --wheel --no-isolation
}
package(){
cd $srcdir/mdanalysis-package-$pkgver/package
python -m installer --destdir="$pkgdir" dist/*.whl
}
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