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-rw-r--r--PKGBUILD15
1 files changed, 11 insertions, 4 deletions
diff --git a/PKGBUILD b/PKGBUILD
index 742ffb129e5f..4d6db4a25332 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -2,19 +2,26 @@
_name="cclib"
pkgname="python-${_name}"
-pkgver=1.7.2
+pkgver=1.8
pkgrel=1
pkgdesc="A library for parsing and interpreting the results of computational chemistry packages."
arch=("any")
url="http://cclib.github.io"
license=("BSD-3-Clause")
makedepends=("python-setuptools")
-depends=("python-packaging" "python-periodictable" "python-scipy")
+depends=("python-importlib-metadata"
+ "python-packaging"
+ "python-periodictable"
+ "python-scipy")
optdepends=('python-openbabel: for generating `OBMol`s of results'
'python-biopython: for generating `BioPython.Atom`s of parsed results'
- 'python-pandas: for generating DataFrames of parsed results')
+ 'python-pandas: for generating DataFrames of parsed results'
+ 'psi4: for Psi4 bridge'
+ 'python-ase: for ASE bridge'
+ 'python-h5py: for reading proatom densities from horton'
+ 'python-pyscf: for PySCF bridge')
source=("https://github.com/${_name}/${_name}/archive/v${pkgver}.tar.gz")
-sha256sums=('ca83ef666424d861eb3501d955da23db45793b0fd10b2cbff9f4dbbbf770e0d1')
+sha256sums=('8b4c4b0f43168374e7aa4e3b433f0b1d0c443dbb73562ab09e705d7c4e61c5e2')
package() {
cd "${srcdir}/${_name}-${pkgver}"