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Support of versions of cp2k below 7 marked as deprecated (#39652)

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SIRIUS was introduced in version 7 of cp2k but could be used
in practice in version 9 (input format and functionalities).
SIRIUS with version 6 and below are marked as a dependency
conflict until CP2K version 9.

Co-authored-by: Mikael Simberg <mikael.simberg@iki.fi>
This commit is contained in:
Taillefumier Mathieu 2023-09-11 18:46:52 +02:00 committed by GitHub
parent 4182e97761
commit 4672346d9c
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GPG Key ID: 4AEE18F83AFDEB23
1 changed files with 22 additions and 7 deletions
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29
var/spack/repos/builtin/packages/cp2k/package.py
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@ -37,10 +37,26 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
version("8.2", sha256="2e24768720efed1a5a4a58e83e2aca502cd8b95544c21695eb0de71ed652f20a") version("8.2", sha256="2e24768720efed1a5a4a58e83e2aca502cd8b95544c21695eb0de71ed652f20a")
version("8.1", sha256="7f37aead120730234a60b2989d0547ae5e5498d93b1e9b5eb548c041ee8e7772") version("8.1", sha256="7f37aead120730234a60b2989d0547ae5e5498d93b1e9b5eb548c041ee8e7772")
version("7.1", sha256="ccd711a09a426145440e666310dd01cc5772ab103493c4ae6a3470898cd0addb") version("7.1", sha256="ccd711a09a426145440e666310dd01cc5772ab103493c4ae6a3470898cd0addb")
version("6.1", sha256="af803558e0a6b9e9d9ce8a3ab955ba32bacd179922455424e061c82c9fefa34b") version(
version("5.1", sha256="e23613b593354fa82e0b8410e17d94c607a0b8c6d9b5d843528403ab09904412") "6.1",
version("4.1", sha256="4a3e4a101d8a35ebd80a9e9ecb02697fb8256364f1eccdbe4e5a85d31fe21343") sha256="af803558e0a6b9e9d9ce8a3ab955ba32bacd179922455424e061c82c9fefa34b",
version("3.0", sha256="1acfacef643141045b7cbade7006f9b7538476d861eeecd9658c9e468dc61151") deprecated=True,
)
version(
"5.1",
sha256="e23613b593354fa82e0b8410e17d94c607a0b8c6d9b5d843528403ab09904412",
deprecated=True,
)
version(
"4.1",
sha256="4a3e4a101d8a35ebd80a9e9ecb02697fb8256364f1eccdbe4e5a85d31fe21343",
deprecated=True,
)
version(
"3.0",
sha256="1acfacef643141045b7cbade7006f9b7538476d861eeecd9658c9e468dc61151",
deprecated=True,
)
version("master", branch="master", submodules="True") version("master", branch="master", submodules="True")
variant("mpi", default=True, description="Enable MPI support") variant("mpi", default=True, description="Enable MPI support")
@ -227,14 +243,13 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
depends_on("sirius+rocm", when="+rocm") depends_on("sirius+rocm", when="+rocm")
depends_on("sirius+openmp", when="+openmp") depends_on("sirius+openmp", when="+openmp")
depends_on("sirius~openmp", when="~openmp") depends_on("sirius~openmp", when="~openmp")
depends_on("sirius@:6", when="@:7")
depends_on("sirius@7.0.0:7.0", when="@8:8.2") depends_on("sirius@7.0.0:7.0", when="@8:8.2")
depends_on("sirius@7.2", when="@8.3:8.9") depends_on("sirius@7.2", when="@8.3:8.9")
depends_on("sirius@7.3:", when="@9.1") depends_on("sirius@7.3:", when="@9.1")
depends_on("sirius@7.4:", when="@2023.2") depends_on("sirius@7.4:", when="@2023.2")
conflicts("~mpi", msg="SIRIUS requires MPI") conflicts("~mpi", msg="SIRIUS requires MPI")
# sirius support was introduced in 7+ # sirius support was introduced in 7, but effectively usable starting from CP2K 9
conflicts("@:6") conflicts("@:8")
with when("+libvori"): with when("+libvori"):
depends_on("libvori@201219:", when="@8.1") depends_on("libvori@201219:", when="@8.1")