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authorAshwin Kumar Karnad <46030335+iamashwin99@users.noreply.github.com>2024-03-13 19:59:16 +0100
committerGitHub <noreply@github.com>2024-03-13 12:59:16 -0600
commit21b50fbbe3b5803743beeb1a2e9b5c2bfe8f91f9 (patch)
tree126fc297dcd4172d72c568d7b2d2d7a1642d9aa9
parent2a8e503a04860bcb02061a66ee00c4b62609b884 (diff)
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octopus: Support new version octopus@14 (#43160)
* add checksum for octopus 14 * Update dependencies for BerkeleyGW package
-rw-r--r--var/spack/repos/builtin/packages/octopus/package.py12
1 files changed, 10 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/octopus/package.py b/var/spack/repos/builtin/packages/octopus/package.py
index 7098b163fa..b4fea462a6 100644
--- a/var/spack/repos/builtin/packages/octopus/package.py
+++ b/var/spack/repos/builtin/packages/octopus/package.py
@@ -23,6 +23,7 @@ class Octopus(AutotoolsPackage, CudaPackage):
license("Apache-2.0")
+ version("14.0", sha256="3cf6ef571ff97cc2c226016815d2ac4aa1e00ae3fb0cc693e0aff5620b80373e")
version("13.0", sha256="b4d0fd496c31a9c4aa4677360e631765049373131e61f396b00048235057aeb1")
version("12.2", sha256="e919e07703696eadb4ba59352d7a2678a9191b4586cb9da538661615e765a5a2")
version("12.1", sha256="e2214e958f1e9631dbe6bf020c39f1fe4d71ab0b6118ea9bd8dc38f6d7a7959a")
@@ -104,7 +105,12 @@ class Octopus(AutotoolsPackage, CudaPackage):
depends_on("arpack-ng+mpi", when="+arpack")
depends_on("elpa+mpi", when="+elpa")
depends_on("netcdf-c+mpi", when="+netcdf") # Link dependency of NetCDF fortran lib
- depends_on("berkeleygw@2.1+mpi", when="+berkeleygw")
+ with when("+berkeleygw"):
+ # From octopus@14:, upstream switched support from BerkeleyGW@2.1 to @3.0:
+ # see https://gitlab.com/octopus-code/octopus/-/merge_requests/2257
+ # BerkeleyGW 2.1 is the last supported version until octopus@14
+ depends_on("berkeleygw@3:+mpi", when="@14:")
+ depends_on("berkeleygw@2.1+mpi", when="@:13")
with when("~mpi"): # list all the serial dependencies
depends_on("fftw@3:+openmp~mpi", when="@8:9") # FFT library
@@ -114,7 +120,9 @@ class Octopus(AutotoolsPackage, CudaPackage):
depends_on("arpack-ng~mpi", when="+arpack")
depends_on("elpa~mpi", when="+elpa")
depends_on("netcdf-c~~mpi", when="+netcdf") # Link dependency of NetCDF fortran lib
- depends_on("berkeleygw@2.1~mpi", when="+berkeleygw")
+ with when("+berkeleygw"):
+ depends_on("berkeleygw@3:~~mpi", when="@14:")
+ depends_on("berkeleygw@2.1~~mpi", when="@:13")
depends_on("etsf-io", when="+etsf-io")
depends_on("py-numpy", when="+python")