From 0fb4c532be3e0cbbcb66b5802237e6979dc1cae9 Mon Sep 17 00:00:00 2001
From: Martin Lang <martin.lang@mpsd.mpg.de>
Date: Tue, 20 Feb 2024 15:24:06 +0100
Subject: [PATCH] Berkeleygw 3 for toolchains foss2022a
---
toolchains/foss2022a-cuda-mpi/spack.yaml | 2 +-
toolchains/foss2022a-mpi/spack.yaml | 2 +-
toolchains/foss2022a-serial/spack.yaml | 2 +-
3 files changed, 3 insertions(+), 3 deletions(-)
diff --git a/toolchains/foss2022a-cuda-mpi/spack.yaml b/toolchains/foss2022a-cuda-mpi/spack.yaml
index 56d552b..c349d4c 100644
--- a/toolchains/foss2022a-cuda-mpi/spack.yaml
+++ b/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
diff --git a/toolchains/foss2022a-mpi/spack.yaml b/toolchains/foss2022a-mpi/spack.yaml
index 7ac4b1f..7ef3188 100644
--- a/toolchains/foss2022a-mpi/spack.yaml
+++ b/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
diff --git a/toolchains/foss2022a-serial/spack.yaml b/toolchains/foss2022a-serial/spack.yaml
index 30f730f..25cb0f1 100644
--- a/toolchains/foss2022a-serial/spack.yaml
+++ b/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
--
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