[balfrin] Update Balfrin sysconfig to v5 env (#806)

- use v5 env
- change nwp master icon test to use mch prod gpu config only

.gitignore

@@ -4,6 +4,9 @@
 **.swo
 log/
 env/
+.venv/
 spack-build_stage/
 spack-test_stage/
-spack-misc_cache/
+spack-misc_cache/
+user-config/
+user-cache/

repos/alps/packages/cray-mpich/package.py

@@ -1,4 +1,4 @@
-# Copyright 2013-2022 Lawrence Livermore National Security, LLC and other
+# Copyright 2013-2023 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)
@@ -15,9 +15,36 @@ class CrayMpich(Package):
 
     homepage = "https://www.hpe.com/us/en/compute/hpc/hpc-software.html"
     url = "https://jfrog.svc.cscs.ch/artifactory/cray-mpich/cray-mpich-8.1.18.4-gcc.tar.gz"
-
     maintainers = ["haampie"]
 
+    version(
+        "8.1.25-gcc",
+        sha256=
+        "95a8a161dc9704ea7b971dc8c1b7ec4d63de57e2f6932f0aa3d1ff1d73899765",
+        url=
+        "https://jfrog.svc.cscs.ch/artifactory/cray-mpich/cray-mpich-8.1.25-gcc.tar.gz",
+    )
+    version(
+        "8.1.25-nvhpc",
+        sha256=
+        "7a89a3f5d35538a4f7984c1403ca888e1b018485597318eaefa4639341e1eb27",
+        url=
+        "https://jfrog.svc.cscs.ch/artifactory/cray-mpich/cray-mpich-8.1.25-nvhpc.tar.gz",
+    )
+    version(
+        "8.1.24-gcc",
+        sha256=
+        "3da0e421c3faaadbe18e57dd033b0ec6513e0d9ed7fbfa77f05a02bada4cd483",
+        url=
+        "https://jfrog.svc.cscs.ch/artifactory/cray-mpich/cray-mpich-8.1.24-gcc.tar.gz",
+    )
+    version(
+        "8.1.24-nvhpc",
+        sha256=
+        "1b507f4e9150cf188a0571aad0d190fc8ee981def1d6198c998673d73828ed6f",
+        url=
+        "https://jfrog.svc.cscs.ch/artifactory/cray-mpich/cray-mpich-8.1.24-nvhpc.tar.gz",
+    )
     version(
         "8.1.23-gcc",
         sha256=
@@ -83,6 +110,36 @@ class CrayMpich(Package):
     # libfabric.so.1
     depends_on("libfabric@1:", type="link")
 
+    with when("@8.1.25-gcc"):
+        # libgfortran.so.5
+        conflicts("%gcc@:7")
+        for __compiler in spack.compilers.supported_compilers():
+            if __compiler != "gcc":
+                conflicts("%{}".format(__compiler), msg="gcc required")
+
+    with when("@8.1.25-nvhpc"):
+        conflicts("%nvhpc@:20.7")
+        conflicts("+rocm")
+        conflicts("~cuda")
+        for __compiler in spack.compilers.supported_compilers():
+            if __compiler != "nvhpc":
+                conflicts("%{}".format(__compiler), msg="nvhpc required")
+
+    with when("@8.1.24-gcc"):
+        # libgfortran.so.5
+        conflicts("%gcc@:7")
+        for __compiler in spack.compilers.supported_compilers():
+            if __compiler != "gcc":
+                conflicts("%{}".format(__compiler), msg="gcc required")
+
+    with when("@8.1.24-nvhpc"):
+        conflicts("%nvhpc@:20.7")
+        conflicts("+rocm")
+        conflicts("~cuda")
+        for __compiler in spack.compilers.supported_compilers():
+            if __compiler != "nvhpc":
+                conflicts("%{}".format(__compiler), msg="nvhpc required")
+
     with when("@8.1.23-gcc"):
         # libgfortran.so.5
         conflicts("%gcc@:7")
@@ -238,3 +295,44 @@ def fixup_compiler_paths(self):
                     gtl_library,
                     self.prefix.bin.mpifort,
                     string=True)
+
+    @property
+    def headers(self):
+        hdrs = find_headers("mpi", self.prefix.include, recursive=True)
+        hdrs += find_headers("cray_version",
+                             self.prefix.include,
+                             recursive=True)  # cray_version.h
+        # cray-mpich depends on cray-pmi
+        hdrs += find_headers("pmi", self.prefix.include,
+                             recursive=True)  # See cray-pmi package
+        hdrs.directories = os.path.dirname(hdrs[0])
+        return hdrs
+
+    @property
+    def libs(self):
+        query_parameters = self.spec.last_query.extra_parameters
+
+        libraries = ["libmpi", "libmpich"]
+
+        if "f77" in query_parameters:
+            libraries.extend(
+                ["libmpifort", "libmpichfort", "libfmpi", "libfmpich"])
+
+        if "f90" in query_parameters:
+            libraries.extend(["libmpif90", "libmpichf90"])
+
+        if "+cuda" in self.spec:
+            libraries.append("libmpi*cuda")
+
+        if "+rocm" in self.spec:
+            libraries.append("libmpi*hsa")
+
+        libs = []
+        for lib_folder in [self.prefix.lib, self.prefix.lib64]:
+            libs += find_libraries(libraries, root=lib_folder, recursive=True)
+            # cray-mpich depends on cray-pmi
+            libs += find_libraries("libpmi", root=lib_folder, recursive=True)
+            libs += find_libraries("libopa", root=lib_folder, recursive=True)
+            libs += find_libraries("libmpl", root=lib_folder, recursive=True)
+
+        return libs

sysconfigs/balfrin/compilers.yaml

@@ -2,10 +2,10 @@ compilers:
 - compiler:
     spec: gcc@11.3.0
     paths:
-      cc: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-gyb6liat3gnkygiwzvrqjof2rnqw3krd/bin/gcc
-      cxx: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-gyb6liat3gnkygiwzvrqjof2rnqw3krd/bin/g++
-      f77: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-gyb6liat3gnkygiwzvrqjof2rnqw3krd/bin/gfortran
-      fc: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-gyb6liat3gnkygiwzvrqjof2rnqw3krd/bin/gfortran
+      cc: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-7vcnno655nolw6ted2kgzoumoocsxxin/bin/gcc
+      cxx: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-7vcnno655nolw6ted2kgzoumoocsxxin/bin/g++
+      f77: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-7vcnno655nolw6ted2kgzoumoocsxxin/bin/gfortran
+      fc: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/gcc-11.3.0-7vcnno655nolw6ted2kgzoumoocsxxin/bin/gfortran
     flags: {}
     operating_system: sles15
     target: x86_64
@@ -15,10 +15,10 @@ compilers:
 - compiler:
     spec: nvhpc@23.3
     paths:
-      cc: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-bubpfon3axcnv5k2e2mrd6myvrgg3lby/Linux_x86_64/23.3/compilers/bin/nvc
-      cxx: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-bubpfon3axcnv5k2e2mrd6myvrgg3lby/Linux_x86_64/23.3/compilers/bin/nvc++
-      f77: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-bubpfon3axcnv5k2e2mrd6myvrgg3lby/Linux_x86_64/23.3/compilers/bin/nvfortran
-      fc: /mch-environment/v4/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-bubpfon3axcnv5k2e2mrd6myvrgg3lby/Linux_x86_64/23.3/compilers/bin/nvfortran
+      cc: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-4sf7jktvmwpir5zm3bvnqvsjjaihxqzb/Linux_x86_64/23.3/compilers/bin/nvc
+      cxx: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-4sf7jktvmwpir5zm3bvnqvsjjaihxqzb/Linux_x86_64/23.3/compilers/bin/nvc++
+      f77: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-4sf7jktvmwpir5zm3bvnqvsjjaihxqzb/Linux_x86_64/23.3/compilers/bin/nvfortran
+      fc: /mch-environment/v5/linux-sles15-zen3/gcc-11.3.0/nvhpc-23.3-4sf7jktvmwpir5zm3bvnqvsjjaihxqzb/Linux_x86_64/23.3/compilers/bin/nvfortran
     flags: {}
     operating_system: sles15
     target: x86_64

sysconfigs/balfrin/upstreams.yaml

@@ -1,3 +1,3 @@
 upstreams:
   system:
-    install_tree: /mch-environment/v4
+    install_tree: /mch-environment/v5

test/system_test.py

@@ -369,11 +369,9 @@ def test_install_2_6_6_nvhpc(self):
 
     @pytest.mark.no_daint  # libxml2 %nvhpc fails to build
     def test_install_nwp_gpu(self):
-        spack_install_and_test(f'icon @nwp-master %nvhpc +cuda')
-
-    @pytest.mark.no_daint  # libxml2 %nvhpc fails to build
-    def test_install_nwp_cpu(self):
-        spack_install_and_test(f'icon @nwp-master %nvhpc ~cuda')
+        spack_install_and_test(
+            'icon @nwp-master %nvhpc +grib2 +eccodes-definitions +ecrad +art +dace gpu=openacc+cuda +mpi-gpu +realloc-buf +pgi-inlib ~aes ~jsbach ~ocean ~coupling ~rte-rrtmgp ~loop-exchange ~async-io-rma +mixed-precision'
+        )
 
     @pytest.mark.no_balfrin  # config file does not exist for this machine
     def test_install_c2sm_test_cpu_gcc(self):