.SRCINFO


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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 = f11714771bf7abf162559e7a7d0c9bb8d3bca7286e3381d2d0a586d51af316bb
	sha256sums = 1c7ec39e9c6f8499ae52352a77dee36b7acd71aa9d5db6cfc7ecb4c430e410b6
	sha256sums = c44269f40c73f15061fd855412507b8d7c0b158ffb3ba6b9d498f67b68756e0c
	sha256sums = e1310d0afecbaed27fb44ebd15000f1fd43ff1955241c2d21e7ed86a2c582541

pkgname = cp2k