.SRCINFO


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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 = 2
	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
	depends = libxc>=4.0.4
	depends = libint>=1.1.4
	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
	sha256sums = d7dd5f164e1e51d2dcb8c7d927b99f6ac1d0f8de4a665bd9daee1a14864c30ae
	sha256sums = dd91990853df6aa45719c6b991db19beb1a8dce556a25149e90bb562e7ba9ff9
	sha256sums = 961ff801e2f4de80faffb84b6c46a457f2c149f32d88daeda5afd992841741b0
	sha256sums = c30512606e0d3857cba7f29febebfc71ea6e658b56784ab5befb2aaeb2dfb006
	sha256sums = 39e3ef335cf51d4cfe436bd4cb1d21a4b9b33af3718bcaf737fbf307c85945fb

pkgname = cp2k