From dc0ce79fe2a30940fb698a3939663731f86f65c3 Mon Sep 17 00:00:00 2001
From: Simon Frasch <simon.frasch@cscs.ch>
Date: Thu, 21 Nov 2024 20:36:58 +0100
Subject: [PATCH] add reframe file

---
 recipes/vasp/v6.4.3/gh200/extra/reframe.yaml | 32 ++++++++++++++++++++
 recipes/vasp/v6.4.3/gh200/modules.yaml       |  2 +-
 2 files changed, 33 insertions(+), 1 deletion(-)
 create mode 100644 recipes/vasp/v6.4.3/gh200/extra/reframe.yaml

diff --git a/recipes/vasp/v6.4.3/gh200/extra/reframe.yaml b/recipes/vasp/v6.4.3/gh200/extra/reframe.yaml
new file mode 100644
index 00000000..9c577d2d
--- /dev/null
+++ b/recipes/vasp/v6.4.3/gh200/extra/reframe.yaml
@@ -0,0 +1,32 @@
+run:
+  features:
+    - vasp
+    - cuda
+    - mpi
+  cc: mpicc
+  cxx: mpic++
+  ftn: mpifort
+  views:
+    - vasp
+develop:
+  features:
+    - vasp-dev
+    - cuda
+    - mpi
+  cc: mpicc
+  cxx: mpic++
+  ftn: mpifort
+  views:
+    - develop
+modules:
+  features:
+    - cuda
+    - mpi
+    - vasp-dev
+  cc: mpicc
+  cxx: mpic++
+  ftn: mpifort
+  views:
+    - modules
+  activation:
+    - module load cmake cray-mpich cuda fftw gcc hdf5 netlib-scalapack ninja nvhpc nvpl-blas nvpl-lapack wannier90
diff --git a/recipes/vasp/v6.4.3/gh200/modules.yaml b/recipes/vasp/v6.4.3/gh200/modules.yaml
index be518cfa..bd38720f 100644
--- a/recipes/vasp/v6.4.3/gh200/modules.yaml
+++ b/recipes/vasp/v6.4.3/gh200/modules.yaml
@@ -18,7 +18,7 @@ modules:
         autoload: none
       hash_length: 0
       exclude_implicits: true
-      include: ['gcc@13.2%gcc@13.2', 'nvpc@23.9%gcc@13.2', '%nvhpc', 'cmake', 'ninja']
+      include: ['gcc@13.2%gcc@13.2', 'nvhpc', '%nvhpc', 'cmake', 'ninja']
       exclude: ['%gcc']
       projections:
         all: '{name}/{version}'