From 76b2d0ca732b79debf14126cc07ad6c02847aa71 Mon Sep 17 00:00:00 2001 From: Germann Elsa Sylvia Date: Thu, 29 Sep 2022 14:26:08 +0200 Subject: [PATCH] FIX: cp2k installation --- env/merlin/spack.yaml | 9 +++------ 1 file changed, 3 insertions(+), 6 deletions(-) diff --git a/env/merlin/spack.yaml b/env/merlin/spack.yaml index e7a4e42..47f4f18 100644 --- a/env/merlin/spack.yaml +++ b/env/merlin/spack.yaml @@ -564,12 +564,9 @@ spack: - [$mpi] - [$blas] - [$python] - # to be fixed - # - matrix: - # - [cp2k] - # - ['%oneapi'] - # - [^intel-oneapi-mpi] - # - [^intel-oneapi-mkl] + - matrix: + - [cp2k@9.1] + - ['%oneapi'] # - matrix: # - [relion +cuda] # - ['%nvhpc']