From 4570f8bc5d87d77ed280fd08b82b924a0b8469e5 Mon Sep 17 00:00:00 2001
From: Nicolas Richart <nicolas.richart@epfl.ch>
Date: Tue, 30 Jul 2024 19:40:31 +0200
Subject: [PATCH] Adding sirius
---
stacks/pinot-noir/packages_stack.yaml | 3 +++
stacks/pinot-noir/spack.yaml | 1 +
2 files changed, 4 insertions(+)
diff --git a/stacks/pinot-noir/packages_stack.yaml b/stacks/pinot-noir/packages_stack.yaml
index 0f94f19..b6d648d 100644
--- a/stacks/pinot-noir/packages_stack.yaml
+++ b/stacks/pinot-noir/packages_stack.yaml
@@ -205,6 +205,9 @@ packages:
scotch:
prefer: ['~mpi']
+ sirius:
+ prefer: ['+fortran', '+elpa', '+wannier90']
+
slepc:
require:
- spec: '^arpack-ng +mpi'
diff --git a/stacks/pinot-noir/spack.yaml b/stacks/pinot-noir/spack.yaml
index f849fd4..3610148 100644
--- a/stacks/pinot-noir/spack.yaml
+++ b/stacks/pinot-noir/spack.yaml
@@ -281,6 +281,7 @@ spack:
- plumed
- py-petsc4py
- slepc
+ - sirius
- gcc_mpi_blas_python_codes:
# - eman2 ++mpi
--
GitLab