.SRCINFO


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pkgbase = cp2k
	pkgdesc = A quantum chemistry and solid state physics software package
	pkgver = 7.1.0
	pkgrel = 2
	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