Merge branch 'refactoring_16.10.2024' into 'main'

FIX: move spack-psi bye one folder

See merge request lsm-hpce/spack-psi!8

env/rhel7/x86_64/admin/stable/spack.yaml

@@ -13,8 +13,8 @@ spack:
     - gcc_12.3.0_openmpi:
       - opal@master/l4dkgyf
   include:
-  - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
-  - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
+  - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
+  - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
   mirrors:
     local_psi: file:///afs/psi.ch/software/spack/testing
   modules:

env/rhel7/x86_64/admin/testing/spack.yaml

@@ -8,8 +8,8 @@ spack:
       # Strongly adviced to avoid problems with buildcaches
       padded_length: 256
   include:
-    - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
+    - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
   mirrors:
     local_psi: file:///afs/psi.ch/software/spack/testing
   modules:

env/rhel7/x86_64/admin/unstable/spack.yaml

@@ -21,8 +21,8 @@ spack:
     - oneapi_2024.1.0_openmpi:
       - gromacs@2024.1/pi5t2pp # ~cuda
   include:
-    - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/packages.yaml
+    - $spack/../spack-psi/env/rhel7/$target_family/sysconfigs/compilers.yaml
   mirrors:
     local_psi: file:///afs/psi.ch/software/spack/testing
   modules:

env/rhel7/x86_64/sysconfigs/compilers.yaml

@@ -15,10 +15,10 @@ compilers:
   - compiler:
       spec: gcc@=12.3.0
       paths:
-        cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gcc
-        cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/g++
-        f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran
-        fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran
+        cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gcc
+        cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/g++
+        f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran
+        fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/gcc-12.3.0-zpn75bqd4uuxamtoonk5tkiproitfqpt/bin/gfortran
       flags: {}
       operating_system: rhel7
       target: x86_64
@@ -28,10 +28,10 @@ compilers:
   - compiler:
       spec: oneapi@=2024.1.0
       paths:
-        cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icx
-        cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icpx
-        f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx
-        fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx
+        cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icx
+        cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/icpx
+        f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx
+        fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-rhel7-x86_64/gcc-4.8.5/intel-oneapi-compilers-2024.1.0-4xhusak77uwpnggnimldlea4qydtzxy7/compiler/2024.1/bin/ifx
       flags: {}
       operating_system: rhel7
       target: x86_64

env/rhel7/x86_64/sysconfigs/packages.yaml

@@ -69,8 +69,6 @@ packages:
     require: '%gcc'
   freetype:
     require: '%gcc@4.8.5'
-  gams:
-    require: '%gcc@4.8.5'
   gawk:
     require: '%gcc@4.8.5'
   gcc:
@@ -147,7 +145,7 @@ packages:
   libxml2:
     require: '%gcc@4.8.5'
   libxpm:
-    require: '%gcc@4.8.5'
+    require: '%gcc'
   libxt:
     require: '%gcc'
   m4:

env/rhel7/x86_64/users/stable/spack.yaml

@@ -2,10 +2,10 @@ spack:
   concretizer:
     unify: false
   include:
-    - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml
+    - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml
   include_concrete:
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/stable
+    - /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/stable
   specs: []
   upstreams:
     stable:

env/rhel7/x86_64/users/unstable/spack.yaml

@@ -2,11 +2,11 @@ spack:
   concretizer:
     unify: false
   include:
-    - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/packages.yaml
+    - $spack/../spack-psi/env/rhel7/x86_64/sysconfigs/compilers.yaml
   include_concrete:
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/stable
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/rhel7/x86_64/admin/unstable
+    - /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/stable
+    - /afs/psi.ch/sys/spack/spack-psi/env/rhel7/x86_64/admin/unstable
   specs: []
   upstreams:
     stable:

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

@@ -9,8 +9,8 @@ spack:
   - gcc_12.3_mpich:
     - relion@4.0.1/ve5sish     #+cuda
   include:
-    - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/$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:

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

@@ -7,8 +7,8 @@ spack:
       # Strongly adviced to avoid problems with buildcaches
       padded_length: 256
   include:
-  - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
-  - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
+  - $spack/../spack-psi/env/$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:

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

@@ -23,8 +23,8 @@ spack:
   - 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
+  - $spack/../spack-psi/env/$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:

env/sles15/aarch64/users/stable/spack.yaml

@@ -2,10 +2,10 @@ spack:
   concretizer:
     unify: false
   include:
-    - $spack/spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
+    - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
   include_concrete:
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/stable
+    - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
   specs: []
   upstreams:
     stable:

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

@@ -2,11 +2,11 @@ spack:
   concretizer:
     unify: false
   include:
-  - $spack/spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
-  - $spack/spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
+  - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/packages.yaml
+  - $spack/../spack-psi/env/sles15/aarch64/sysconfigs/compilers.yaml
   include_concrete:
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/stable
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/aarch64/admin/unstable
+    - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/stable
+    - /afs/psi.ch/sys/spack/spack-psi/env/sles15/aarch64/admin/unstable
   specs: []
   upstreams:
     stable:

env/sles15/x86_64/admin/stable/spack.yaml

@@ -11,8 +11,8 @@ spack:
   - gcc_12.3_mpich:
     - relion@4.0.1/ve5sish     #+cuda
   include:
-    - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/$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:

env/sles15/x86_64/admin/testing/spack.yaml

@@ -7,8 +7,8 @@ spack:
       # Strongly adviced to avoid problems with buildcaches
       padded_length: 256
   include:
-  - $spack/spack-psi/env/$os/$target_family/sysconfigs/packages.yaml
-  - $spack/spack-psi/env/$os/$target_family/sysconfigs/compilers.yaml
+  - $spack/../spack-psi/env/$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:

env/sles15/x86_64/admin/unstable/spack.yaml

@@ -25,8 +25,8 @@ spack:
   - 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
+  - $spack/../spack-psi/env/$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:

env/sles15/x86_64/sysconfigs/compilers.yaml

@@ -65,10 +65,10 @@ compilers:
 - compiler:
       spec: intel@=2021.6.0
       paths:
-        cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icc
-        cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icpc
-        f77: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort
-        fc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort
+        cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icc
+        cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/icpc
+        f77: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort
+        fc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/intel64/ifort
       flags: {}
       operating_system: sles15
       target: x86_64
@@ -79,8 +79,8 @@ compilers:
 - compiler:
       spec: oneapi@=2022.1.0
       paths:
-        cc: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icx
-        cxx: /afs/psi.ch/sys/spack/system/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icpx
+        cc: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icx
+        cxx: /afs/psi.ch/sys/spack/0.22.0/opt/spack/stable/linux-sles15-x86_64/gcc-7.5.0/intel-oneapi-compilers-2022.1.0-jjfubnqeg5udrhlho6owzlpi6odqsey5/compiler/2022.1.0/linux/bin/icpx
         f77: null
         fc: null
       flags: {}

env/sles15/x86_64/users/stable/spack.yaml

@@ -2,10 +2,10 @@ spack:
   concretizer:
     unify: false
   include:
-    - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
-    - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
+    - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
+    - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
   include_concrete:
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable
+    - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/stable
   specs: []
   upstreams:
     stable:

env/sles15/x86_64/users/unstable/spack.yaml

@@ -2,11 +2,11 @@ spack:
   concretizer:
     unify: false
   include:
-  - $spack/spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
-  - $spack/spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
+  - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/packages.yaml
+  - $spack/../spack-psi/env/sles15/x86_64/sysconfigs/compilers.yaml
   include_concrete:
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/stable
-    - /afs/psi.ch/sys/spack/system/spack-psi/env/sles15/x86_64/admin/unstable
+    - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/stable
+    - /afs/psi.ch/sys/spack/spack-psi/env/sles15/x86_64/admin/unstable
   specs: []
   upstreams:
     stable:

packages/gams/package.py

@@ -0,0 +1,13 @@
+# Copyright 2013-2024 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+import os
+
+from spack.package import *
+from spack.pkg.builtin.gams import Gams as SpackGams
+
+
+class Gams(SpackGams):
+    version("48.1", md5="5a59a973edfc4e3170b9535760593d62", expand=False)