From 6b0ea2db1db8a4d9c553548562c16900f8364b3e Mon Sep 17 00:00:00 2001 From: Hans Fangohr Date: Tue, 14 Jan 2025 16:43:45 +0100 Subject: [PATCH] octopus: add v15.1 (#48514) --- var/spack/repos/builtin/packages/octopus/package.py | 13 +++++++++++-- 1 file changed, 11 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/octopus/package.py b/var/spack/repos/builtin/packages/octopus/package.py index 399aa95195f..6e03884c3fb 100644 --- a/var/spack/repos/builtin/packages/octopus/package.py +++ b/var/spack/repos/builtin/packages/octopus/package.py @@ -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