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pkgbase = cp2k
pkgdesc = A quantum chemistry and solid state physics software package for atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.
pkgver = 6.1.0
pkgrel = 1
url = https://www.cp2k.org
arch = x86_64
license = GPL2
makedepends = gcc
makedepends = gcc-fortran
makedepends = python2
makedepends = make
depends = lapack
depends = blas
depends = fftw
depends = gcc-libs
depends = glibc
optdepends = cuda: GPU calculations support
optdepends = plumed: enhanced sampling support
source = https://github.com/cp2k/cp2k/archive/v6.1.0.tar.gz
source = basic.ssmp
source = basic_cuda.ssmp
source = basic_plumed.ssmp
source = basic_cuda_plumed.ssmp
md5sums = 071d4e0716f3b646911522f6a72aae2d
md5sums = 214e5ccb988fb2603168d3eb73e84cce
md5sums = 3aae24738a4841d5ff4f367d310edb72
md5sums = 8affc94195f762c3b8dd5e636d6c98e2
md5sums = 82dee44b58d0f108d736574221c59ec5
pkgname = cp2k
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