diff options
| author | Eric Berquist | 2023-11-17 14:23:39 -0500 |
|---|---|---|
| committer | Eric Berquist | 2023-11-17 14:23:39 -0500 |
| commit | 62d37a27ebfa8629d4ca0691934a52c1368198d4 (patch) | |
| tree | 674f8999d840ac8f8e221fedd6b941b99763f870 /.SRCINFO | |
| parent | 90753ba552ef30b4bec5dceeee62eb86920e351b (diff) | |
| download | aur-62d37a27ebfa8629d4ca0691934a52c1368198d4.tar.gz | |
Version bump: 1.7.2 -> 1.8
Diffstat (limited to '.SRCINFO')
| -rw-r--r-- | .SRCINFO | 11 |
1 files changed, 8 insertions, 3 deletions
@@ -1,18 +1,23 @@ pkgbase = python-cclib pkgdesc = A library for parsing and interpreting the results of computational chemistry packages. - pkgver = 1.7.2 + 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 - source = https://github.com/cclib/cclib/archive/v1.7.2.tar.gz - sha256sums = ca83ef666424d861eb3501d955da23db45793b0fd10b2cbff9f4dbbbf770e0d1 + 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 |