.SRCINFO


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pkgbase = cp2k
	pkgdesc = A quantum chemistry and solid state physics software package
	pkgver = 7.1.0
	pkgrel = 3
	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 = f1e92ff252a3ee814b63111928dfdda9f9d1fd2e18a3de7a0a3e8d3629628a44
	sha256sums = 8e130a0cd75a66efc9bd8765cf3b8e081611e8f45d1f0851d3d8e8a76d93f78c
	sha256sums = ac1ffe638743453234e447c6996e9c0786d67efbd4c9e3ee95142eacb45d2ad1
	sha256sums = 70af5b75ef78a27ff996867dddcedd8d265ac2609cb2a0304ff45100f854af2b
	sha256sums = f566a9941f27c9d55c528acf0aacbb8ed686067777ce48f1e206432d259ee8a1

pkgname = cp2k