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24 lines
1 KiB
Bash
24 lines
1 KiB
Bash
# Maintainer: Eric Berquist <eric dot berquist at gmail dot com>
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_name="cclib"
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pkgname="python-${_name}"
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pkgver=1.6.2
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pkgrel=2
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pkgdesc="A library for parsing and interpreting the results of computational chemistry packages."
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arch=("any")
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url="http://cclib.github.io"
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license=("BSD-3-Clause")
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makedepends=("python-setuptools")
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depends=("python-numpy" "python-packaging" "python-periodictable")
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optdepends=('python-openbabel: for generating `OBMol`s of results'
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'python-biopython: for generating `BioPython.Atom`s of parsed results'
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'python-pandas: for generating DataFrames of parsed results'
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'python-scipy: for calculating properties of nuclear configurations')
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source=("https://github.com/${_name}/${_name}/archive/v${pkgver}.tar.gz")
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sha256sums=('ece7b34a487f7483763ef997fa527b8a8c3e1963796df0a9dbf3bab85a686338')
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package() {
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cd "${srcdir}/${_name}-${pkgver}"
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python setup.py install --root="${pkgdir}" --optimize=1
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install -D -m644 LICENSE "${pkgdir}"/usr/share/licenses/${pkgname}/LICENSE
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}
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