Merge pull request #19490 from akesandgren/20240104152455_new_pr_SUND…

…IALS660 {math}[foss/2022b,foss/2023a] SUNDIALS v6.6.0 enable KLU and CUDA solvers
easybuilders · Jan 10, 2024 · 01cc786 · 01cc786
2 parents 617f1a0 + 5ecc30a
commit 01cc786
Show file tree

Hide file tree

Showing 4 changed files with 149 additions and 10 deletions.
diff --git a/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0-foss-2022b.eb b/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0-foss-2022b.eb
@@ -12,11 +12,30 @@ toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = ['https://github.com/LLNL/sundials/releases/download/v%(version)s/']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['f90029b8da846c8faff5530fd1fa4847079188d040554f55c1d5d1e04743d29d']
-
-builddependencies = [('CMake', '3.24.3')]
-
-configopts = "-DMPI_ENABLE=ON -DOPENMP_ENABLE=ON -DLAPACK_ENABLE=ON"
+patches = [
+    '%(name)s-%(version)s_fix_bad_find_library_calls.patch',
+]
+checksums = [
+    {'sundials-6.6.0.tar.gz': 'f90029b8da846c8faff5530fd1fa4847079188d040554f55c1d5d1e04743d29d'},
+    {'SUNDIALS-6.6.0_fix_bad_find_library_calls.patch':
+     'c5e3248bd036fee17436649280ff7156a2722698c33ec20a5e635e3a60d16823'},
+]
+
+builddependencies = [
+    ('CMake', '3.24.3'),
+]
+
+dependencies = [
+    ('SuiteSparse', '5.13.0', '-METIS-5.1.0'),
+]
+
+_copts = [
+    '-DENABLE_MPI=ON',
+    '-DENABLE_OPENMP=ON',
+    '-DENABLE_LAPACK=ON',
+    '-DENABLE_KLU=ON',
+]
+configopts = ' '.join(_copts)
 
 local_solvers = ['arkode', 'cvode', 'cvodes', 'ida', 'idas', 'kinsol']
 

diff --git a/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0-foss-2023a-CUDA-12.1.1.eb b/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0-foss-2023a-CUDA-12.1.1.eb
@@ -0,0 +1,56 @@
+easyblock = 'CMakeMake'
+
+name = 'SUNDIALS'
+version = '6.6.0'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://computing.llnl.gov/projects/sundials'
+
+description = "SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers"
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
+
+source_urls = ['https://github.com/LLNL/sundials/releases/download/v%(version)s/']
+sources = [SOURCELOWER_TAR_GZ]
+patches = [
+    '%(name)s-%(version)s_fix_bad_find_library_calls.patch',
+]
+checksums = [
+    {'sundials-6.6.0.tar.gz': 'f90029b8da846c8faff5530fd1fa4847079188d040554f55c1d5d1e04743d29d'},
+    {'SUNDIALS-6.6.0_fix_bad_find_library_calls.patch':
+     'c5e3248bd036fee17436649280ff7156a2722698c33ec20a5e635e3a60d16823'},
+]
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+]
+
+dependencies = [
+    ('CUDA', '12.1.1', '', SYSTEM),
+    ('SuiteSparse', '7.1.0'),
+]
+
+_copts = [
+    '-DENABLE_MPI=ON',
+    '-DENABLE_OPENMP=ON',
+    '-DENABLE_LAPACK=ON',
+    '-DENABLE_KLU=ON',
+    '-DENABLE_CUDA=ON',
+    '-DCMAKE_CUDA_ARCHITECTURES="%(cuda_cc_cmake)s"',
+]
+configopts = ' '.join(_copts)
+
+local_solvers = ['arkode', 'cvode', 'cvodes', 'ida', 'idas', 'kinsol']
+
+sanity_check_paths = {
+    'files': ['lib/libsundials_%s.a' % s for s in local_solvers +
+              ['nvecopenmp', 'nvecparallel', 'nvecserial']] +
+             ['lib/libsundials_%s.%s' % (s, SHLIB_EXT) for s in local_solvers +
+              ['nvecopenmp', 'nvecparallel', 'nvecserial']],
+    'dirs': ['examples/%s' % s for s in local_solvers] +
+            ['include/%s' % s for s in local_solvers] +
+            ['examples/nvector', 'include/nvector', 'include/sundials'],
+}
+
+moduleclass = 'math'
diff --git a/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0-foss-2023a.eb b/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0-foss-2023a.eb
@@ -12,11 +12,30 @@ toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = ['https://github.com/LLNL/sundials/releases/download/v%(version)s/']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['f90029b8da846c8faff5530fd1fa4847079188d040554f55c1d5d1e04743d29d']
-
-builddependencies = [('CMake', '3.26.3')]
-
-configopts = "-DMPI_ENABLE=ON -DOPENMP_ENABLE=ON -DLAPACK_ENABLE=ON"
+patches = [
+    '%(name)s-%(version)s_fix_bad_find_library_calls.patch',
+]
+checksums = [
+    {'sundials-6.6.0.tar.gz': 'f90029b8da846c8faff5530fd1fa4847079188d040554f55c1d5d1e04743d29d'},
+    {'SUNDIALS-6.6.0_fix_bad_find_library_calls.patch':
+     'c5e3248bd036fee17436649280ff7156a2722698c33ec20a5e635e3a60d16823'},
+]
+
+builddependencies = [
+    ('CMake', '3.26.3'),
+]
+
+dependencies = [
+    ('SuiteSparse', '7.1.0'),
+]
+
+_copts = [
+    '-DENABLE_MPI=ON',
+    '-DENABLE_OPENMP=ON',
+    '-DENABLE_LAPACK=ON',
+    '-DENABLE_KLU=ON',
+]
+configopts = ' '.join(_copts)
 
 local_solvers = ['arkode', 'cvode', 'cvodes', 'ida', 'idas', 'kinsol']
 

diff --git a/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0_fix_bad_find_library_calls.patch b/easybuild/easyconfigs/s/SUNDIALS/SUNDIALS-6.6.0_fix_bad_find_library_calls.patch
@@ -0,0 +1,45 @@
+Make FindKLU use default search paths so it finds our SuiteSparse installation.
+
+Åke Sandgren, 2023-12-20
+diff -ru sundials-6.6.0.orig/cmake/tpl/FindKLU.cmake sundials-6.6.0/cmake/tpl/FindKLU.cmake
+--- sundials-6.6.0.orig/cmake/tpl/FindKLU.cmake	2023-07-20 20:47:41.062113287 +0200
++++ sundials-6.6.0/cmake/tpl/FindKLU.cmake	2023-12-20 13:27:56.974985727 +0100
+@@ -55,25 +55,25 @@
+ else ()
+     # find library with user provided directory path
+     set(KLU_LIBRARY_NAME klu)
+-    find_library(KLU_LIBRARY ${KLU_LIBRARY_NAME} ${KLU_LIBRARY_DIR} NO_DEFAULT_PATH)
++    find_library(KLU_LIBRARY ${KLU_LIBRARY_NAME} ${KLU_LIBRARY_DIR})
+ endif ()
+ mark_as_advanced(KLU_LIBRARY)
+
+ if (NOT AMD_LIBRARY)
+     set(AMD_LIBRARY_NAME amd)
+-    find_library(AMD_LIBRARY ${AMD_LIBRARY_NAME} ${KLU_LIBRARY_DIR} NO_DEFAULT_PATH)
++    find_library(AMD_LIBRARY ${AMD_LIBRARY_NAME} ${KLU_LIBRARY_DIR})
+     mark_as_advanced(AMD_LIBRARY)
+ endif ()
+
+ if (NOT COLAMD_LIBRARY)
+     set(COLAMD_LIBRARY_NAME colamd)
+-    find_library(COLAMD_LIBRARY ${COLAMD_LIBRARY_NAME} ${KLU_LIBRARY_DIR} NO_DEFAULT_PATH)
++    find_library(COLAMD_LIBRARY ${COLAMD_LIBRARY_NAME} ${KLU_LIBRARY_DIR})
+     mark_as_advanced(COLAMD_LIBRARY)
+ endif ()
+
+ if (NOT BTF_LIBRARY)
+     set(BTF_LIBRARY_NAME btf)
+-    find_library( BTF_LIBRARY ${BTF_LIBRARY_NAME} ${KLU_LIBRARY_DIR} NO_DEFAULT_PATH)
++    find_library( BTF_LIBRARY ${BTF_LIBRARY_NAME} ${KLU_LIBRARY_DIR})
+     mark_as_advanced(BTF_LIBRARY)
+ endif ()
+
+@@ -83,7 +83,7 @@
+     if(WIN32 AND NOT MSYS)
+         set(CMAKE_FIND_LIBRARY_PREFIXES "")
+     endif()
+-    find_library( SUITESPARSECONFIG_LIBRARY ${SUITESPARSECONFIG_LIBRARY_NAME} ${KLU_LIBRARY_DIR} NO_DEFAULT_PATH)
++    find_library( SUITESPARSECONFIG_LIBRARY ${SUITESPARSECONFIG_LIBRARY_NAME} ${KLU_LIBRARY_DIR})
+     mark_as_advanced(SUITESPARSECONFIG_LIBRARY)
+ endif ()
+