Berkeleygw 3 for toolchains foss2022a

toolchains/foss2022a-cuda-mpi/spack.yaml

@@ -33,7 +33,7 @@ spack:
     # octopus dependencies:
     - elpa@2021.11.001+cuda cuda_arch=70 ^cuda@11.4+allow-unsupported-compilers  # elpa@2020.05.001
     - libvdwxc@0.4.0+mpi+pfft
-    - berkeleygw@2.1+mpi
+    - berkeleygw@3.0.1+mpi
     - parmetis@4.0.3+int64
     - pfft@1.0.8-alpha
     - pnfft@1.0.7-alpha

toolchains/foss2022a-mpi/spack.yaml

@@ -32,7 +32,7 @@ spack:
     # octopus dependencies:
     - elpa@2021.11.001
     - libvdwxc@0.4.0+mpi+pfft
-    - berkeleygw@2.1+mpi
+    - berkeleygw@3.0.1+mpi
     - parmetis@4.0.3+int64
     - pfft@1.0.8-alpha
     - pnfft@1.0.7-alpha

toolchains/foss2022a-serial/spack.yaml

@@ -20,7 +20,7 @@ spack:
     - libgd@2.2.4
     - libvdwxc@0.4.0~~mpi
     - nfft@3.2.4
-    - berkeleygw@2.1~~mpi
+    - berkeleygw@3.0.1~~mpi
     - python@3.9.5
     - cgal@5.0.3
     - hdf5@1.12.2~mpi