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pkgbase = cp2k
pkgdesc = A quantum chemistry and solid state physics software package
pkgver = 6.1.0
pkgrel = 6
url = https://www.cp2k.org
arch = x86_64
license = GPL2
makedepends = gcc-fortran
makedepends = python2
makedepends = make
makedepends = sed
depends = fftw
depends = cp2k-data
depends = scalapack
depends = libxc
depends = libint
depends = libxsmm
depends = spglib
optdepends = cuda: GPU calculations support
optdepends = plumed-mpi: enhanced sampling support
provides = cp2k
conflicts = cp2k-bin
conflicts = cp2k-git
source = https://github.com/cp2k/cp2k/archive/v6.1.0.tar.gz
source = basic.psmp
source = cuda_plumed.psmp
source = cuda.psmp
source = plumed.psmp
sha256sums = d7dd5f164e1e51d2dcb8c7d927b99f6ac1d0f8de4a665bd9daee1a14864c30ae
sha256sums = d26e4b6fdfb2078500dec63cf3e4957fd0465cf25cd7bb116d6ee1800613d305
sha256sums = 466f6f82b6e92b5ad2a5ff3a8faab346ff4cd8205f04572bb1d63dc2c0af9dc7
sha256sums = f53e90b5129f43b4842aa90f76e38faff2236a6df1cd14deed6310adf8fd7fac
sha256sums = 368fd4effa3bd5750728993e31416cd7187d8dec7648e621e17aa076d2d72a9a
pkgname = cp2k
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