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cp2k: add v8.1 (#20829)

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Tiziano Müller 2021-01-13 09:39:35 +01:00 committed by GitHub
parent 0bd76ac9e6
commit 5443558717
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2 changed files with 4 additions and 1 deletions
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4
var/spack/repos/builtin/packages/cp2k/package.py
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@ -22,6 +22,7 @@ class Cp2k(MakefilePackage, CudaPackage):
maintainers = ['dev-zero'] maintainers = ['dev-zero']
version('8.1', sha256='7f37aead120730234a60b2989d0547ae5e5498d93b1e9b5eb548c041ee8e7772')
version('7.1', sha256='ccd711a09a426145440e666310dd01cc5772ab103493c4ae6a3470898cd0addb') version('7.1', sha256='ccd711a09a426145440e666310dd01cc5772ab103493c4ae6a3470898cd0addb')
version('6.1', sha256='af803558e0a6b9e9d9ce8a3ab955ba32bacd179922455424e061c82c9fefa34b') version('6.1', sha256='af803558e0a6b9e9d9ce8a3ab955ba32bacd179922455424e061c82c9fefa34b')
version('5.1', sha256='e23613b593354fa82e0b8410e17d94c607a0b8c6d9b5d843528403ab09904412') version('5.1', sha256='e23613b593354fa82e0b8410e17d94c607a0b8c6d9b5d843528403ab09904412')
@ -70,6 +71,7 @@ class Cp2k(MakefilePackage, CudaPackage):
multi=False) multi=False)
depends_on('python', type='build') depends_on('python', type='build')
depends_on('python@3:', when='@8:', type='build')
depends_on('blas') depends_on('blas')
depends_on('lapack') depends_on('lapack')
@ -125,7 +127,7 @@ class Cp2k(MakefilePackage, CudaPackage):
depends_on('py-numpy', when='@7:+cuda', type='build') depends_on('py-numpy', when='@7:+cuda', type='build')
depends_on('python@3.6:', when='@7:+cuda', type='build') depends_on('python@3.6:', when='@7:+cuda', type='build')
depends_on('libvori@201217:', when='@8:+libvori', type='build') depends_on('libvori@201219:', when='@8:+libvori', type='build')
depends_on('spglib', when='+spglib') depends_on('spglib', when='+spglib')
# PEXSI, ELPA, COSMA and SIRIUS depend on MPI # PEXSI, ELPA, COSMA and SIRIUS depend on MPI

1
var/spack/repos/builtin/packages/libvori/package.py
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@ -14,5 +14,6 @@ class Libvori(CMakePackage):
maintainers = ['dev-zero'] maintainers = ['dev-zero']
version('201229', sha256='da0afb292c94f8de2aaebfd0b692d15ffd86083cb8a48478b07ca93823decc06')
version('201224', sha256='16f6c49eaa17ea23868925dbaae2eca71bdacbe50418c97d6c55e05728038f31') version('201224', sha256='16f6c49eaa17ea23868925dbaae2eca71bdacbe50418c97d6c55e05728038f31')
version('201217', sha256='6ad456ed6ca5d28cadcc0d90eabe8fff5caa77b99f12764323de5e3ae21cddf5') version('201217', sha256='6ad456ed6ca5d28cadcc0d90eabe8fff5caa77b99f12764323de5e3ae21cddf5')