From 07559d778ece4489ed297a421cdf5755b06cc81b Mon Sep 17 00:00:00 2001 From: Ashwin Kumar Karnad <46030335+iamashwin99@users.noreply.github.com> Date: Thu, 30 Mar 2023 23:57:05 +0200 Subject: octopus: Add berkeleygw variant (#36495) * octopus: Add berkeleygw variant * octopus: style fix --- var/spack/repos/builtin/packages/octopus/package.py | 5 +++++ 1 file changed, 5 insertions(+) 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. -- cgit v1.2.3-60-g2f50