.SRCINFO


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pkgbase = cp2k
	pkgdesc = A quantum chemistry and solid state physics software package
	pkgver = 7.1.0
	pkgrel = 5
	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<5.0
	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
	source = lapack.patch
	sha256sums = e244f76d7e1e98da7e4e4b2e6cefb723fa1205cfae4f94739413be74952e8b4e
	sha256sums = 1e283a3b9ce90bda321d77f4fa611b09a7eaad167d7bc579b2e9311f7b97b5ec
	sha256sums = 7fcc5d8d743361ac41d8e2118ad2f162de5d8274018fd8f10d115db0a07d7ff4
	sha256sums = 7534ad85434cae17b7b79b1aeb5a25dbb912b6307040e0b3d3ff5e35f81e9327
	sha256sums = 4d642cc08f16dc57bc9f9815b128ec5bc70bad72d5f394296492d224d78b5bdc
	sha256sums = b895cabd59e5429ec5763290ce02923fc04afb7e2167ed9bcc973c6da9981545
	sha256sums = f566a9941f27c9d55c528acf0aacbb8ed686067777ce48f1e206432d259ee8a1

pkgname = cp2k