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octopus: add v15.1 (#48514)

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Hans Fangohr 2025-01-14 16:43:45 +01:00 committed by GitHub
parent d72b371c8a
commit 6b0ea2db1d
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1 changed files with 11 additions and 2 deletions
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var/spack/repos/builtin/packages/octopus/package.py
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@ -22,6 +22,8 @@ class Octopus(AutotoolsPackage, CudaPackage):
license("Apache-2.0")
version("15.1", sha256="6c4deb535ddfcdcdf6f26764b38fb1ad05faa9b418ec18d5d93f8d1040165bda")
version("15.0", sha256="d339721d06155b3470f5a798c5b1eb3fe6252fa8c4b2a4efe27ed715f60a4313")
version("14.1", sha256="6955f4020e69f038650a24509ff19ef35de4fd34e181539f92fa432db9b66ca7")
version("14.0", sha256="3cf6ef571ff97cc2c226016815d2ac4aa1e00ae3fb0cc693e0aff5620b80373e")
version("13.0", sha256="b4d0fd496c31a9c4aa4677360e631765049373131e61f396b00048235057aeb1")
@ -47,6 +49,13 @@ class Octopus(AutotoolsPackage, CudaPackage):
depends_on("cxx", type="build") # generated
depends_on("fortran", type="build") # generated
# To compile Octopus 15 with gcc, we need at least gcc 11.3:
conflicts(
"%gcc@:11.2",
when="@15:",
msg="GCC version must be at least 11.3 for Octopus version 15 or newer",
)
variant("mpi", default=True, description="Build with MPI support")
variant("scalapack", default=False, when="+mpi", description="Compile with Scalapack")
variant("berkeleygw", default=False, description="Compile with BerkeleyGW")
@ -98,8 +107,8 @@ class Octopus(AutotoolsPackage, CudaPackage):
depends_on("libxc@2:2", when="@:5")
depends_on("libxc@2:3", when="@6:7")
depends_on("libxc@2:4", when="@8:9")
depends_on("libxc@5.1.0:", when="@10:")
depends_on("libxc@5.1.0:", when="@develop")
depends_on("libxc@5.1.0:6", when="@10:")
depends_on("libxc@5.1.0:6", when="@develop")
depends_on("netcdf-fortran", when="+netcdf") # NetCDF fortran lib without mpi variant
with when("+mpi"): # list all the parallel dependencies
depends_on("fftw@3:+mpi+openmp", when="@8:9") # FFT library