59 lines
1.4 KiB
YAML
59 lines
1.4 KiB
YAML
spack:
|
|
concretizer:
|
|
unify: false
|
|
config:
|
|
install_tree:
|
|
root: $spack/opt/spack/unstable
|
|
definitions:
|
|
- gcc_7.5.0:
|
|
- visit@3.3.3/fo37wwb
|
|
- 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
|
|
- intel_2021.6.0:
|
|
- openmpi@4.1.6/eqhrgv5
|
|
- nvhpc_23.9_openmpi:
|
|
- quantum-espresso@7.3.1/le35al7 #+cuda
|
|
include:
|
|
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
|
|
- $spack/../spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
|
|
mirrors:
|
|
local_psi: file:///afs/psi.ch/software/spack/testing
|
|
modules:
|
|
default:
|
|
roots:
|
|
tcl: $spack/opt/spack/unstable/modulefiles
|
|
specs:
|
|
- matrix:
|
|
- [$gcc_7.5.0]
|
|
- ['%gcc@7.5.0']
|
|
- matrix:
|
|
- [$gcc_12.3]
|
|
- ['%gcc@12.3']
|
|
- matrix:
|
|
- [$gcc_12.3_mpich]
|
|
- ['%gcc@12.3']
|
|
- [^cray-mpich]
|
|
- matrix:
|
|
- [$gcc_12.3_openmpi]
|
|
- ['%gcc@12.3']
|
|
- [^openmpi]
|
|
- matrix:
|
|
- [$intel_2021.6.0]
|
|
- ['%intel@2021.6.0']
|
|
- matrix:
|
|
- [$nvhpc_23.9_openmpi]
|
|
- ['%nvhpc@23.9']
|
|
- [^openmpi]
|
|
view: false
|