pkgbase = cp2k
	pkgdesc = A quantum chemistry and solid state physics software package
	pkgver = 8.1.0
	pkgrel = 2
	url = https://www.cp2k.org
	arch = x86_64
	license = GPL2
	checkdepends = numactl
	makedepends = gcc-fortran
	makedepends = python
	makedepends = git
	makedepends = libint2
	depends = fftw
	depends = elpa
	depends = libxc<5.0
	depends = libxsmm
	depends = spglib
	depends = cosma
	optdepends = cuda: GPU calculations support
	optdepends = plumed-mpi: enhanced sampling support
	provides = cp2k
	conflicts = cp2k-bin
	conflicts = cp2k-git
	conflicts = cp2k-data
	source = cp2k-8.1.0.tar.gz::https://github.com/cp2k/cp2k/archive/v8.1.0.tar.gz
	source = git+https://github.com/cp2k/dbcsr.git#tag=v2.1.0
	source = basic.psmp
	source = cuda_plumed.psmp
	source = cuda.psmp
	source = plumed.psmp
	sha256sums = 1e25a865cad0a3958bc3e9e345bb771302015929fa22b299d1eb8f2e07f52756
	sha256sums = SKIP
	sha256sums = 8b6c791a0b7c98ee2c593e3962465de07912e5ff2c611ba2bd1c6703d62ce1ec
	sha256sums = e37f65b984f7ff374349dc3662b42fea15a6ae11b7843184b2a0c89d9d077c96
	sha256sums = 0c7eb8b6f6b724d28b7248e112c20dd9de70bdba06b2774bd1f23c87f03d6e7c
	sha256sums = 6f27bcdff18336fd3499c1a82c47f3a0858fb6133f388500f3f21102cf6526e0

pkgname = cp2k