pkgbase = python-cclib pkgdesc = A library for parsing and interpreting the results of computational chemistry packages. pkgver = 1.8 pkgrel = 1 url = http://cclib.github.io arch = any license = BSD-3-Clause makedepends = python-setuptools depends = python-importlib-metadata depends = python-packaging depends = python-periodictable depends = python-scipy optdepends = python-openbabel: for generating `OBMol`s of results optdepends = python-biopython: for generating `BioPython.Atom`s of parsed results optdepends = python-pandas: for generating DataFrames of parsed results optdepends = psi4: for Psi4 bridge optdepends = python-ase: for ASE bridge optdepends = python-h5py: for reading proatom densities from horton optdepends = python-pyscf: for PySCF bridge source = https://github.com/cclib/cclib/archive/v1.8.tar.gz sha256sums = 8b4c4b0f43168374e7aa4e3b433f0b1d0c443dbb73562ab09e705d7c4e61c5e2 pkgname = python-cclib