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authorAshwin Kumar Karnad <46030335+iamashwin99@users.noreply.github.com>2023-03-30 23:57:05 +0200
committerGitHub <noreply@github.com>2023-03-30 14:57:05 -0700
commit07559d778ece4489ed297a421cdf5755b06cc81b (patch)
tree02aa5cd0eb23cfe27d9c4d3096cf7f73c417d9ed
parent33833a4f32eb5f6ba013001613c6216f59db8f48 (diff)
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octopus: Add berkeleygw variant (#36495)
* octopus: Add berkeleygw variant * octopus: style fix
-rw-r--r--var/spack/repos/builtin/packages/octopus/package.py5
1 files changed, 5 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/octopus/package.py b/var/spack/repos/builtin/packages/octopus/package.py
index 42ec5f7b95..da099b5f07 100644
--- a/var/spack/repos/builtin/packages/octopus/package.py
+++ b/var/spack/repos/builtin/packages/octopus/package.py
@@ -40,6 +40,7 @@ class Octopus(AutotoolsPackage, CudaPackage):
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")
variant("metis", default=False, description="Compile with METIS")
variant("parmetis", default=False, when="+mpi", description="Compile with ParMETIS")
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("elpa+mpi", when="+elpa")
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
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("elpa~mpi", when="+elpa")
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("py-numpy", when="+python")
@@ -232,6 +235,8 @@ class Octopus(AutotoolsPackage, CudaPackage):
# --with-sparskit=${prefix}/lib/libskit.a
# --with-pfft-prefix=${prefix} --with-mpifftw-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
# strings the result may be > 132 chars and is terminated.