diff --git a/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-gpsmkl-2022a.eb b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-gpsmkl-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..0908512fdef8a9be9ba094a904b788a0df2923ac --- /dev/null +++ b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-gpsmkl-2022a.eb @@ -0,0 +1,79 @@ +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 $LDFLAGS" && ' +preconfigopts += 'autoreconf && ' + +configopts = '--without-threading-support-check-during-build ' + +with_single = False + +maxparallel = 1 + +modextravars = { + 'ELPA_ROOT': '%(installdir)s', + 'ELPAROOT': '%(installdir)s', + 'ELPA_INCLUDE': '%(installdir)s/include/elpa-%(version)s/', + 'ELPA_INCLUDE_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/', + 'ELPA_LIB': '%(installdir)s/lib', + 'ELPA_LIB_OPENMP': '%(installdir)s/lib', + 'ELPA_MODULES': '%(installdir)s/include/elpa-%(version)s/modules', + 'ELPA_MODULES_OPENMP': '%(installdir)s/include/elpa_openmp-%(version)s/modules', +} + +moduleclass = 'math' diff --git a/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-intel-para-2022a.eb b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-intel-para-2022a.eb new file mode 100644 index 0000000000000000000000000000000000000000..966537c00da53dd193ccc31d6c6dce13b42784da --- /dev/null +++ b/Golden_Repo/e/ELPA/ELPA-2022.11.001.rc1-intel-para-2022a.eb @@ -0,0 +1,78 @@ +name = 'ELPA' +version = '2022.11.001.rc1' + +homepage = 'https://elpa.rzg.mpg.de' +description = """Eigenvalue SoLvers for Petaflop-Applications. ELPA has been installed as module in +$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'