Updates to package.py

CHANGELOG.md

@@ -4,6 +4,7 @@
 - [[PR269]](https://github.com/lanl/singularity-eos/pull/269) Add SAP Polynomial EoS
 
 ### Fixed (Repair bugs, etc)
+- [[PR291]](https://github.com/lanl/singularity-eos/pull/291) package.py updates to reflect new CMake options 
 - [[PR290]](https://github.com/lanl/singularity-eos/pull/290) Added target guards on export config
 - [[PR288]](https://github.com/lanl/singularity-eos/pull/288) Don't build tests that depend on spiner when spiner is disabled
 - [[PR287]](https://github.com/lanl/singularity-eos/pull/287) Fix testing logic with new HDF5 options

CMakeLists.txt

@@ -11,9 +11,6 @@
 # publicly and display publicly, and to permit others to do so.
 # ------------------------------------------------------------------------------#
 
-# We want to stay near to latest, as more compilers and third-party libraries
-# are supported. However, uptake of new CMake releases can be slow. 20230403:
-# version 3.19 is available on all testing platforms
 cmake_minimum_required(VERSION 3.19)
 
 # Disable "in-source" builds
@@ -51,9 +48,10 @@ option(SINGULARITY_USE_FORTRAN "Enable fortran bindings" ON)
 option(SINGULARITY_USE_KOKKOS "Use Kokkos for portability" OFF)
 option(SINGULARITY_USE_EOSPAC "Enable eospac backend" OFF)
 
+#TODO This should be dependent option (or fortran option)
 option(SINGULARITY_BUILD_CLOSURE "Mixed Cell Closure" ON)
 
-cmake_dependent_option(SINGULARITY_USE_CUDA "Use CUDA backend of Kokkos" ON
+cmake_dependent_option(SINGULARITY_USE_CUDA "Use CUDA backend of Kokkos" OFF
                        "SINGULARITY_USE_KOKKOS" OFF)
 cmake_dependent_option(
   SINGULARITY_USE_KOKKOSKERNELS "Use KokkosKernels for LA routines" ON

spack-repo/packages/singularity-eos/package.py

@@ -58,8 +58,12 @@ class SingularityEos(CMakePackage, CudaPackage):
     # configuration 
     variant("hdf5", default=False, description="Use hdf5")
 
+    variant("spiner", default=True, description="Use Spiner")
+
+    variant("closure", default=True, description="Build closure module")
+
     # building/testing/docs
-    depends_on("cmake@3.14:")
+    depends_on("cmake@3.19:")
     depends_on("[email protected]", when="+tests")
     depends_on("python@3:", when="+python")
     depends_on("py-numpy", when="+python+tests")
@@ -74,17 +78,17 @@ class SingularityEos(CMakePackage, CudaPackage):
     depends_on("eospac", when="+eospac")
 
     depends_on("[email protected]:", when="@:1.7.0")
-    depends_on("[email protected].1:", when="@1.7.1:")
+    depends_on("[email protected].2:", when="@1.7.1:")
     # request HEAD of main branch
     depends_on("ports-of-call@main", when="@main")
 
-    depends_on("spiner +kokkos", when="+kokkos")
+    depends_on("spiner +kokkos", when="+kokkos+spiner")
     # tell spiner to use HDF5 
-    depends_on("spiner +hdf5", when="+hdf5")
+    depends_on("spiner +hdf5", when="+hdf5+spiner")
 
-    depends_on("spiner@:1.6.0", when="@:1.7.0")
-    depends_on("[email protected]:", when="@1.7.1:") #TODO version
-    depends_on("spiner@main", when="@main")
+    depends_on("spiner@:1.6.0", when="@:1.7.0 +spiner")
+    depends_on("[email protected]:", when="@1.7.1: +spiner") #TODO version
+    depends_on("spiner@main", when="@main +spiner")
 
     depends_on("mpark-variant")
     depends_on(
@@ -96,9 +100,11 @@ class SingularityEos(CMakePackage, CudaPackage):
         when="+cuda",
     )
 
+
+    #TODO: do we need kokkos,kokkoskernels the exact same version?
     for _myver,_kver in zip(("@:1.6.2","@1.7.0:"),("@3.2:","@3.3:")):
-        depends_on("kokkos" + _kver, when=_myver)
-        depends_on("kokkos-kernels" + _kver, when=_myver)
+        depends_on("kokkos" + _kver, when=_myver + '+kokkos')
+        depends_on("kokkos-kernels" + _kver, when=_myver + '+kokkos-kernels')
 
     # set up kokkos offloading dependencies
     for _flag in ("~cuda", "+cuda", "~openmp", "+openmp"):
@@ -107,8 +113,9 @@ class SingularityEos(CMakePackage, CudaPackage):
         depends_on("spiner" + _flag, when="+kokkos" + _flag)
 
     # specfic specs when using GPU/cuda offloading
-    # TODO Do we need `+aggressive_vectorization`, `+cuda_constexpr`, `~compiler_warnings` ?
-    depends_on("kokkos +wrapper+cuda_lambda+cuda_relocatable_device_code", when="+cuda+kokkos")
+    # TODO remove +wrapper for clang builds
+    # TODO version guard +cuda_lambda
+    depends_on("kokkos +wrapper+cuda_lambda", when="+cuda+kokkos")
 
     # fix for older spacks
     if spack.version.Version(spack.spack_version) >= spack.version.Version("0.17"):
@@ -127,6 +134,10 @@ class SingularityEos(CMakePackage, CudaPackage):
     conflicts("+cuda", when="~kokkos")
     conflicts("+openmp", when="~kokkos")
     conflicts("+kokkos-kernels", when="~kokkos")
+    conflicts("+hdf5", when="~spiner")
+
+    # TODO: @dholliday remove when sg_get_eos not singularity
+    conflicts("+fortran", when="~closure")
 
     # NOTE: these are set so that dependencies in downstream projects share
     # common MPI dependence
@@ -144,9 +155,9 @@ def cmake_args(self):
             self.define_from_variant("SINGULARITY_USE_KOKKOS", "kokkos"),
             self.define_from_variant("SINGULARITY_USE_KOKKOSKERNELS", "kokkos-kernels"),
             self.define_from_variant("SINGULARITY_USE_FORTRAN", "fortran"),
-            self.define_from_variant("SINGULARITY_BUILD_CLOSURE", "fortran"),
+            self.define_from_variant("SINGULARITY_BUILD_CLOSURE", "closure"),
             self.define_from_variant("SINGULARITY_BUILD_PYTHON", "python"),
-            self.define_from_variant("SINGULARITY_USE_SPINER", "hdf5"),
+            self.define_from_variant("SINGULARITY_USE_SPINER", "spiner"),
             self.define_from_variant("SINGULARITY_USE_SPINER_WITH_HDF5", "hdf5"),
             self.define("SINGULARITY_BUILD_TESTS", self.run_tests),
             self.define(
@@ -165,46 +176,18 @@ def cmake_args(self):
                 ("stellarcollapse" in self.spec.variants["build_extra"].value and self.run_tests),
             ),
             self.define("SINGULARITY_TEST_PYTHON", ("+python" in self.spec and self.run_tests)),
+            # TODO: guard for older versions, remove for new versions(1.7<)
             self.define("SINGULARITY_USE_HDF5", "^hdf5" in self.spec),
             self.define("SINGULARITY_USE_EOSPAC", "^eospac" in self.spec),
         ]
 
+        #TODO: do we need this?
         if "+kokkos+cuda" in self.spec:
             args.append(self.define("CMAKE_CXX_COMPILER", self.spec["kokkos"].kokkos_cxx))
 
         return args
 
-    # TODO everything past here may not be needed, 
-    # except the pythonpath setting 
-    #
-    # specify the name of the auto-generated cmake cache config
-    @property
-    def cmake_config_fname(self):
-        return "singularity-eos_spackconfig.cmake"
-
-    # generate the pre-configured cmake cache file that reflects the spec options
-    # NOTE: this file isn't replaced if the same spec is already installed -
-    # you may need to uninstall the old spec first
-    @run_after("cmake")
-    def generate_cmake_configuration(self):
-        config_fname = self.cmake_config_fname
-        cmake_config = self.cmake_args()
-
-        with working_dir("cmake-gen", create=True):
-            with open(config_fname, "w") as cmc:
-                for arg in cmake_config:
-                    kt, v = arg.replace("-D", "").split("=")
-                    k, t = kt.split(":")
-                    cmc.write('set({} "{}" CACHE {} "" FORCE)\n'.format(k, v, t))
-            install(config_fname, join_path(prefix, config_fname))
-
-    # run when loaded
-    # NOTE: to use:
-    #   cmake -C $SINGULARITY_SPACK_CMAKE_CONFIG ...
     def setup_run_environment(self, env):
-        env.set(
-            "SINGULARITY_SPACK_CMAKE_CONFIG", os.path.join(self.prefix, self.cmake_config_fname)
-        )
         if os.path.isdir(self.prefix.lib64):
             lib_dir = self.prefix.lib64
         else: