diff options
Diffstat (limited to '.SRCINFO')
| -rw-r--r-- | .SRCINFO | 20 |
1 files changed, 17 insertions, 3 deletions
@@ -1,18 +1,32 @@ pkgbase = python-cclib-git pkgdesc = A library for parsing and interpreting the results of computational chemistry packages. (git version) - pkgver = 1.7.2.r3755.5a881638 + pkgver = 1.8.1.r4748.6832e465 pkgrel = 1 url = http://cclib.github.io arch = any license = BSD-3-Clause - makedepends = python-setuptools + checkdepends = psi4 + checkdepends = python-biopython + checkdepends = python-iodata + checkdepends = python-pyquante2 + checkdepends = python-pyscf + checkdepends = python-pytest makedepends = git + makedepends = python-build + makedepends = python-installer + makedepends = python-setuptools + makedepends = python-wheel depends = python-packaging depends = python-periodictable depends = python-scipy - optdepends = python-openbabel: for generating `OBMol`s of results + optdepends = psi4: for Psi4 bridge + optdepends = python-ase: for ASE bridge optdepends = python-biopython: for generating `BioPython.Atom`s of parsed results + optdepends = python-iodata: for reading proatom densities from horton + optdepends = python-openbabel: for generating `OBMol`s of results optdepends = python-pandas: for generating DataFrames of parsed results + optdepends = python-pyquante2: for computing grid-based quantities with cube output + optdepends = python-pyscf: for PySCF bridge provides = python-cclib conflicts = python-cclib source = git+https://github.com/cclib/cclib |