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pkgbase = cp2k
pkgdesc = A quantum chemistry and solid state physics software package
pkgver = 6.1.0
pkgrel = 3
url = https://www.cp2k.org
arch = x86_64
license = GPL2
makedepends = gcc
makedepends = gcc-fortran
makedepends = python2
makedepends = make
makedepends = sed
depends = lapack
depends = blas
depends = fftw
depends = gcc-libs
depends = glibc
depends = cp2k-data
depends = openmpi
depends = scalapack
depends = libxc>=4.0.4
depends = libint>=1.1.4
optdepends = cuda: GPU calculations support
optdepends = plumed-mpi: enhanced sampling support
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 = f11714771bf7abf162559e7a7d0c9bb8d3bca7286e3381d2d0a586d51af316bb
sha256sums = 1c7ec39e9c6f8499ae52352a77dee36b7acd71aa9d5db6cfc7ecb4c430e410b6
sha256sums = c44269f40c73f15061fd855412507b8d7c0b158ffb3ba6b9d498f67b68756e0c
sha256sums = e1310d0afecbaed27fb44ebd15000f1fd43ff1955241c2d21e7ed86a2c582541
pkgname = cp2k
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