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octopus: Add berkeleygw variant (#36495)

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* octopus: Add berkeleygw variant
* octopus: style fix
This commit is contained in:
Ashwin Kumar Karnad
2023-03-30 23:57:05 +02:00
committed by GitHub
parent 33833a4f32
commit 07559d778e
1 changed files with 5 additions and 0 deletions
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var/spack/repos/builtin/packages/octopus/package.py
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@@ -40,6 +40,7 @@ class Octopus(AutotoolsPackage, CudaPackage):
variant("mpi", default=True, description="Build with MPI support") variant("mpi", default=True, description="Build with MPI support")
variant("scalapack", default=False, when="+mpi", description="Compile with Scalapack") variant("scalapack", default=False, when="+mpi", description="Compile with Scalapack")
variant("berkeleygw", default=False, description="Compile with BerkeleyGW")
variant("metis", default=False, description="Compile with METIS") variant("metis", default=False, description="Compile with METIS")
variant("parmetis", default=False, when="+mpi", description="Compile with ParMETIS") variant("parmetis", default=False, when="+mpi", description="Compile with ParMETIS")
variant("netcdf", default=False, description="Compile with Netcdf") variant("netcdf", default=False, description="Compile with Netcdf")
@@ -92,6 +93,7 @@ class Octopus(AutotoolsPackage, CudaPackage):
depends_on("arpack-ng+mpi", when="+arpack") depends_on("arpack-ng+mpi", when="+arpack")
depends_on("elpa+mpi", when="+elpa") depends_on("elpa+mpi", when="+elpa")
depends_on("netcdf-fortran ^netcdf-c+mpi", when="+netcdf") depends_on("netcdf-fortran ^netcdf-c+mpi", when="+netcdf")
depends_on("berkeleygw@2.1+mpi", when="+berkeleygw")
with when("~mpi"): # list all the serial dependencies with when("~mpi"): # list all the serial dependencies
depends_on("fftw@3:+openmp~mpi", when="@8:9") # FFT library depends_on("fftw@3:+openmp~mpi", when="@8:9") # FFT library
@@ -100,6 +102,7 @@ class Octopus(AutotoolsPackage, CudaPackage):
depends_on("arpack-ng~mpi", when="+arpack") depends_on("arpack-ng~mpi", when="+arpack")
depends_on("elpa~mpi", when="+elpa") depends_on("elpa~mpi", when="+elpa")
depends_on("netcdf-fortran ^netcdf-c~~mpi", when="+netcdf") depends_on("netcdf-fortran ^netcdf-c~~mpi", when="+netcdf")
depends_on("berkeleygw@2.1~mpi", when="+berkeleygw")
depends_on("etsf-io", when="+etsf-io") depends_on("etsf-io", when="+etsf-io")
depends_on("py-numpy", when="+python") depends_on("py-numpy", when="+python")
@@ -232,6 +235,8 @@ def configure_args(self):
# --with-sparskit=${prefix}/lib/libskit.a # --with-sparskit=${prefix}/lib/libskit.a
# --with-pfft-prefix=${prefix} --with-mpifftw-prefix=${prefix} # --with-pfft-prefix=${prefix} --with-mpifftw-prefix=${prefix}
# --with-berkeleygw-prefix=${prefix} # --with-berkeleygw-prefix=${prefix}
if "+berkeleygw" in spec:
args.append("--with-berkeleygw-prefix=%s" % spec["berkeleygw"].prefix)
# When preprocessor expands macros (i.e. CFLAGS) defined as quoted # When preprocessor expands macros (i.e. CFLAGS) defined as quoted
# strings the result may be > 132 chars and is terminated. # strings the result may be > 132 chars and is terminated.