Upgrade to Spack v1.0.0

.github/workflows/spack_default_build.yaml

@@ -7,7 +7,7 @@ env:
   # Our repo name contains upper case characters, so we can't use ${{ github.repository }}
   IMAGE_NAME: gridkit
   USERNAME: gridkit-bot
-  BASE_VERSION: ubuntu-24.04-fortran-v0.2.13
+  BASE_VERSION: ubuntu-24.04-fortran-v0.3.0
 
 # Until we remove the need to clone submodules to build, this should on be in PRs
 on: [pull_request]
@@ -99,8 +99,8 @@ jobs:
         llvm: ["16"]
         # Minimal Build(s) - GHCR mirror speeds these up a lot!
         spack_spec:
-          - gridkit@develop ~asan+enzyme+ipopt~ubsan
-          - gridkit@develop +asan~enzyme+ipopt+ubsan
+          - gridkit@develop ~asan+enzyme+ipopt+klu+sundials~ubsan
+          - gridkit@develop +asan~enzyme+ipopt+klu+sundials+ubsan
 
     steps:
       - name: Add LLVM
@@ -118,7 +118,7 @@ jobs:
           submodules: true
 
       - name: Setup Spack
-        run: echo "$PWD/buildsystem/spack/spack/bin" >> "$GITHUB_PATH"
+        run: echo "$PWD/buildsystem/spack/bin" >> "$GITHUB_PATH"
 
       - name: Create heredoc spack.yaml
         run: |
@@ -135,7 +135,7 @@ jobs:
                 padded_length: 128
             mirrors:
               local-buildcache: oci://${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}/${{ env.BASE_VERSION }}
-              spack: https://binaries.spack.io/v0.23.1
+              spack: https://binaries.spack.io/v1.0.1
             packages:
               ipopt:
                 require: ~coinhsl+mumps
@@ -158,6 +158,9 @@ jobs:
       - name: Find external packages
         run: spack -e . external find --all --exclude llvm
 
+      - name: Spack add repos
+        run: spack -e . repo add buildsystem/spack_repo/gridkit
+
       - name: Spack develop gridkit
         run: spack -e . develop --path=$(pwd) gridkit@develop
 

.gitignore

@@ -4,6 +4,6 @@
 .vscode/
 *.DS_Store
 build/
-*.DS_Store
 *.swp
 doxygen-docs/
+__pycache__

.gitmodules

@@ -1,10 +1,9 @@
-[submodule "buildsystem/spack/spack"]
-	path = buildsystem/spack/spack
-	url = https://github.com/nkoukpaizan/spack.git
-	branch = Gridkit-package-dev+enzyme
 [submodule "third-party/nlohmann-json"]
 	path = third-party/nlohmann-json
 	url = https://github.com/nlohmann/json
 [submodule "third-party/magic-enum"]
 	path = third-party/magic-enum
 	url = https://github.com/Neargye/magic_enum
+[submodule "buildsystem/spack"]
+	path = buildsystem/spack
+	url = https://github.com/spack/spack.git

buildsystem/README.md

@@ -0,0 +1,21 @@
+One way to build GridKit and its dependencies is by using Spack. 
+We include Spack as a submodule to the Gridkit repository and use it for our CI builds. 
+For more information on how to use Spack, please refer to their [documentation](https://spack-tutorial.readthedocs.io/en/latest).
+
+Example steps to build using Spack with an environment created on the fly:
+```
+git submodule update --init buildsystem/spack
+source ./buildsystem/spack/share/spack/setup-env.sh
+spack env create gridkit
+spack env activate -p gridkit
+spack repo add buildsystem/spack_repo/gridkit
+spack develop --path=$(pwd) gridkit@develop
+spack compiler find
+spack add gridkit+enzyme+ipopt+klu+sundials
+spack concretize -f
+spack install
+spack env deactivate
+```
+
+As GridKit matures, we plan to expand on this build approach and provide Spack
+configurations for different systems of interest.

buildsystem/spack_repo/gridkit/packages/gridkit/package.py

@@ -0,0 +1,59 @@
+# Copyright Spack Project Developers. See COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack_repo.builtin.build_systems.cmake import CMakePackage
+from spack.package import *
+
+class Gridkit(CMakePackage):
+    """Experimental code for prototyping interfaces betwen numerical libraries and network models."""
+
+    homepage = "https://github.com/ORNL/GridKit"
+    git = "https://github.com/ORNL/GridKit.git"
+
+    maintainers("nkoukpaizan", "pelesh")
+
+    version("develop", submodules=True, branch="develop")
+
+    variant("asan", default=False, description="Enable/Disable address sanitizer")
+    variant("enzyme", default=False, description="Enable/Disable Enzyme")
+    variant("ipopt", default=False, description="Enable/Disable Ipopt")
+    variant("klu", default=False, description="Enable/Disable KLU")
+    variant("sundials", default=False, description="Enable/Disable SUNDIALS")
+    variant("ubsan", default=False, description="Enable/Disable undefined behavir sanitizer")
+
+    conflicts("+klu", when="~sundials")
+
+    depends_on("c", type="build")
+    depends_on("cxx", type="build")
+    depends_on("fortran", type="build")
+
+    depends_on("enzyme", when="+enzyme")
+    depends_on("ipopt", when="+ipopt")
+    depends_on("sundials@7:+klu~mpi", when="+sundials+klu")
+    depends_on("sundials@7:~klu~mpi", when="+sundials~klu")
+
+    def cmake_args(self):
+        args = []
+        spec = self.spec
+
+        args.extend(
+            [
+                self.define_from_variant("GRIDKIT_ENABLE_IPOPT", "ipopt"),
+                self.define_from_variant("GRIDKIT_ENABLE_SUNDIALS", "sundials"),
+                self.define_from_variant("GRIDKIT_ENABLE_SUNDIALS_SPARSE", "klu"),
+                self.define_from_variant("GRIDKIT_ENABLE_ENZYME", "enzyme"),
+                self.define_from_variant("GRIDKIT_ENABLE_ASAN", "asan"),
+                self.define_from_variant("GRIDKIT_ENABLE_UBSAN", "ubsan"),
+            ]
+        )
+
+        if self.spec.satisfies("+enzyme"):
+            args.extend(
+                [
+                    self.define("CMAKE_C_COMPILER", f"{self.spec['llvm'].prefix}/bin/clang"),
+                    self.define("CMAKE_CXX_COMPILER", f"{self.spec['llvm'].prefix}/bin/clang++"),
+                ]
+            )
+
+        return args

buildsystem/spack_repo/gridkit/repo.yaml

@@ -0,0 +1,3 @@
+repo:
+  namespace: 'gridkit'
+  api: v2.2