ADD: gromacs and ffbidx

env/sles15/aarch64/admin/unstable/spack.yaml

@@ -6,22 +6,14 @@ spack:
       root: $spack/opt/spack/unstable
   definitions:
   - gcc_7.5.0:
-    - visit@3.3.3/fo37wwb
+    - ffbidx@main/3xig2i
-  - gcc_12.3:
-    - fastqc@0.12.1/eyuqqvf
-    - ffbidx@main/lfacuhw
-    - star@2.7.11a/gdgr2ea
-    - sratoolkit@3.1.1/7oqp6a3
   - gcc_12.3_mpich:
-    - cp2k@2024.1/2jesise     #~cuda
     - cp2k@2024.1/zqm5fme     #+cuda
-    - quantum-espresso@7.3.1/n6mulig     #~cuda
-    - opal@2024.1.0/mhg3mdx
     - py-alphafold@2.3.2/xkw7tfm     #+cuda
   - gcc_12.3_openmpi:
-    - gromacs@2024.1/3n7qspb     #+cuda
+    - gromacs@2024.1/x33hfjx
-  - nvhpc_23.9_openmpi:
+  - nvhpc_24.3_openmpi:
-    - quantum-espresso@7.3.1/le35al7 #+cuda
+    - quantum-espresso@7.3.1/ilkc3ds #+cuda
   include:
   - $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
   - $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
@@ -44,9 +36,6 @@ spack:
   - matrix:
     - [$gcc_7.5.0]
     - ['%gcc@7.5.0']
-  - matrix:
-    - [$gcc_12.3]
-    - ['%gcc@12.3']
   - matrix:
     - [$gcc_12.3_mpich]
     - ['%gcc@12.3']
@@ -56,7 +45,7 @@ spack:
     - ['%gcc@12.3']
     - [^openmpi]
   - matrix:
-    - [$nvhpc_23.9_openmpi]
+    - [$nvhpc_24.3_openmpi]
-    - ['%nvhpc@23.9']
+    - ['%nvhpc@24.3']
     - [^openmpi]
   view: false