gpsmkl and intel-para

Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-gpsmkl-2022a.eb

+name = 'ELPA'
+version = '2022.11.001.rc1'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications. ELPA has been installed as module in
+$EBROOTELPA ($ELPA_ROOT is also defined). This installation
+contains the pure MPI version and the hybrid MPI/OpenMP version.
+Notice: If you want to use OpenMP threads you have to set
+export ELPA_DEFAULT_omp=<number of threads per MPI process>
+in your batch job and start MPI with MPI_INIT_THREAD(MPI_THREAD_MULTIPLE,....
+
+Several assembly kernels have been compiled. They can be chosen at runtime when calling the library or
+with the environment variables REAL_ELPA_KERNEL or COMPLEX_ELPA_KERNEL.
+
+An example is
+export REAL_ELPA_KERNEL=REAL_ELPA_KERNEL_GENERIC
+which chooses the generic real kernel for elpa2.
+Starting with version 2019.11.001 the legacy interface is no longer available.
+"""
+
+usage = """You can get an overview over the available kernels by loading ELPA and then submitting a batch job with
+
+srun --ntasks=1 $EBROOTELPA/bin/elpa2_print_kernels
+
+Programs using this ELPA library have to be compiled with
+
+-I$ELPA_INCLUDE[_OPENMP]/ -I$ELPA_INCLUDE[_OPENMP]/elpa -I$ELPA_MODULES[_OPENMP]
+
+and linked with
+
+-L$EBROOTELPA/lib -lelpa[_openmp]
+-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_gf_lp64
+-lmkl_sequential[-lmkl_gnu_thread]
+-lmkl_core -lgomp -lpthread -lm -ldl -lstdc++
+"""
+
+examples = 'Examples can be found in $EBROOTELPA/examples'
+
+toolchain = {'name': 'gpsmkl', 'version': '2022a'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
+sources = ["elpa-new_release_%(version)s.tar.gz"]
+patches = ['%(name)s-%(version)s_fix_hardcoded_perl_path.patch']
+checksums = [
+    {'elpa-new_release_2022.11.001.rc1.tar.gz': 'dfd5fa9cc6da8af4c4c0505feaf3b212df7380a3a58ce34181d0c750c20d018d'},
+    {'ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch':
+     '1088c190a9ccfa3d88ce760bcf9de9300288cd1e4606ff79c2b66f5189a0ac72'},
+]
+
+builddependencies = [
+    ('Autotools', '20220317'),
+    # remove_xcompiler script requires 'python' command,
+    ('Python', '3.10.4'),
+    ('Perl', '5.34.1'),
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
+preconfigopts += 'autoreconf && '
+
+configopts = '--without-threading-support-check-during-build '
+
+with_single = False
+
+maxparallel = 1
+
+modextravars = {
+    'ELPA_ROOT': '%(installdir)s',
+    'ELPAROOT': '%(installdir)s',
+    'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/',
+    'ELPA_INCLUDE_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/',
+    'ELPA_LIB': '%(installdir)s/lib',
+    'ELPA_LIB_OPENMP': '%(installdir)s/lib',
+    'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules',
+    'ELPA_MODULES_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/modules',
+}
+
+moduleclass = 'math'

Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-intel-para-2022a.eb

+name = 'ELPA'
+version = '2022.11.001.rc1'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications. ELPA has been installed as module in
+$EBROOTELPA ($ELPA_ROOT is also defined). This installation
+contains the pure MPI version and the hybrid MPI/OpenMP version.
+Notice: If you want to use OpenMP threads you have to set
+export ELPA_DEFAULT_omp=<number of threads per MPI process>
+in your batch job and start MPI with MPI_INIT_THREAD(MPI_THREAD_MULTIPLE,....
+
+Several assembly kernels have been compiled. They can be chosen at runtime when calling the library or
+with the environment variables REAL_ELPA_KERNEL or COMPLEX_ELPA_KERNEL.
+
+An example is
+export REAL_ELPA_KERNEL=REAL_ELPA_KERNEL_GENERIC
+which chooses the generic real kernel for elpa2.
+Starting with version 2019.11.001 the legacy interface is no longer available.
+"""
+
+usage = """You can get an overview over the available kernels by loading ELPA and then submitting a batch job with
+
+srun --ntasks=1 $EBROOTELPA/bin/elpa2_print_kernels
+
+Programs using this ELPA library have to be compiled with
+
+-I$ELPA_INCLUDE[_OPENMP]/ -I$ELPA_INCLUDE[_OPENMP]/elpa -I$ELPA_MODULES[_OPENMP]
+
+and linked with
+
+-L$EBROOTELPA/lib -lelpa[_openmp]
+-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64 -lmkl_intel_lp64
+-lmkl_sequential[-lmkl_intel_thread]
+-lmkl_core -liomp5 -lpthread -lstdc++
+"""
+
+examples = 'Examples can be found in $EBROOTELPA/examples'
+
+toolchain = {'name': 'intel-para', 'version': '2022a'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
+sources = ["elpa-new_release_%(version)s.tar.gz"]
+patches = ['%(name)s-%(version)s_fix_hardcoded_perl_path.patch']
+checksums = [
+    {'elpa-new_release_2022.11.001.rc1.tar.gz': 'dfd5fa9cc6da8af4c4c0505feaf3b212df7380a3a58ce34181d0c750c20d018d'},
+    {'ELPA-2022.11.001.rc1_fix_hardcoded_perl_path.patch':
+     '1088c190a9ccfa3d88ce760bcf9de9300288cd1e4606ff79c2b66f5189a0ac72'},
+]
+
+builddependencies = [
+    ('Autotools', '20220317'),
+    # remove_xcompiler script requires 'python' command,
+    ('Python', '3.10.4'),
+    ('Perl', '5.34.1'),
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'autoreconf && '
+
+configopts = '--without-threading-support-check-during-build '
+
+with_single = False
+
+maxparallel = 1
+
+modextravars = {
+    'ELPA_ROOT': '%(installdir)s',
+    'ELPAROOT': '%(installdir)s',
+    'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/',
+    'ELPA_INCLUDE_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/',
+    'ELPA_LIB': '%(installdir)s/lib',
+    'ELPA_LIB_OPENMP': '%(installdir)s/lib',
+    'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules',
+    'ELPA_MODULES_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/modules',
+}
+
+moduleclass = 'math'