blob: fb43f8c2cf40e8197bab55641db264cdd09b4320 (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
|
pkgbase = cp2k
pkgdesc = A quantum chemistry and solid state physics software package
pkgver = 7.1.0
pkgrel = 1
url = https://www.cp2k.org
arch = x86_64
license = GPL2
checkdepends = numactl
makedepends = gcc-fortran
makedepends = python
makedepends = sed
depends = fftw
depends = elpa
depends = libxc
depends = libint2
depends = libxsmm
depends = spglib
optdepends = cuda: GPU calculations support
optdepends = plumed-mpi: enhanced sampling support
provides = cp2k
conflicts = cp2k-bin
conflicts = cp2k-git
conflicts = cp2k-data
source = https://github.com/cp2k/cp2k/archive/v7.1.0.tar.gz
source = https://github.com/cp2k/dbcsr/archive/v2.0.1.tar.gz
source = basic.psmp
source = cuda_plumed.psmp
source = cuda.psmp
source = plumed.psmp
sha256sums = e244f76d7e1e98da7e4e4b2e6cefb723fa1205cfae4f94739413be74952e8b4e
sha256sums = 1e283a3b9ce90bda321d77f4fa611b09a7eaad167d7bc579b2e9311f7b97b5ec
sha256sums = ecbb19d6f40bf28abd7b4771e6ad0df899634f31d11ac2da89e58becb01f3ec3
sha256sums = db6654c5d62f09a1ab166e5f82969f5cbf304cba633a286afd262eb048f5c5f0
sha256sums = e9c97e220257d0ecf9bec4bd9aaa64c348416286fffc82d2d6f6ceda333196e8
sha256sums = 514d6ea683bb7b904df804e258f9de18274088fc0184a56c2fd4827aa0ae63fe
pkgname = cp2k
|