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octopus: Support new version octopus@14 (#43160)

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* add checksum for octopus 14

* Update dependencies for BerkeleyGW package
This commit is contained in:
Ashwin Kumar Karnad
2024-03-13 19:59:16 +01:00
committed by GitHub
parent 2a8e503a04
commit 21b50fbbe3
1 changed files with 10 additions and 2 deletions
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12
var/spack/repos/builtin/packages/octopus/package.py
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@@ -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")