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new file: a/arpack-ng/arpack-ng-3.8.0-intel-2022a.eb new file: c/Code_Aster/Code_Aster-14.6-Python-3.11.3-GCC-12.3.0.eb new file: d/DFTB+/DFTB+-23.1-intel-2022a.eb new file: d/dftd3-lib/dftd3-lib-0.10-GCC-11.3.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-11.3.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-12.2.0.eb new file: e/ELPA/ELPA-2022.05.001-intel-2022b.eb new file: e/ELSI/ELSI-2.9.1-intel-2022a.eb new file: h/HDF5/HDF5-1.10.3-foss-2022b.eb new file: h/HDF5/HDF5-1.10.3.patch new file: m/MEDCoupling/MEDCOUPLING-9.10.0-foss-2022b.eb new file: m/medfile/medfile-4.1.1-foss-2021b.eb new file: m/medfile/medfile-4.1.1-foss-2022b.eb new file: o/ORCA/ORCA-5.0.3-foss-2022a.eb new file: o/ORCA/ORCA-5.0.3-foss-2022b.eb new file: o/OVITO/OVITO-3.9.2-GCCcore-12.2.0-pro.eb new file: o/OpenMPI/OpenMPI-4.1.0-GCC-10.2.0.eb new file: p/Python/Python-3.11.3-GCCcore-12.3.0-test.eb new file: p/Python/Python-3.8.6-GCCcore-10.2.0-alpha.eb new file: p/Python/Python-3.8.6-GCCcore-9.3.0-alpha.eb new file: s/SALOME_CONFIGURATION/SALOME_CONFIGURATION-9.10.0.eb new file: t/tblite/tblite-0.3.0-intel-2022a.eb new file: t/tblite/tblite-0.3.0-intel-2022b.eb new file: x/XZ/XZ-5.4.2-GCCcore-12.3.0.eb
42 lines
1.6 KiB
Plaintext
42 lines
1.6 KiB
Plaintext
# IT4Innovations
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# LK 2023
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name = 'ELPA'
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version = '2022.05.001'
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homepage = 'https://elpa.mpcdf.mpg.de/'
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description = """Eigenvalue SoLvers for Petaflop-Applications."""
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toolchain = {'name': 'intel', 'version': '2022b'}
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toolchainopts = {'openmp': True, 'usempi': True}
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source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
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sources = ['elpa-new_release_%(version)s.tar.gz']
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#patches = ['%(name)s-%(version)s_fix_hardcoded_perl_path.patch']
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checksums = [
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{'elpa-new_release_2022.05.001.tar.gz': '96ff14abe53cc3652ba290a0e309d238147fbbfe054d783efee9890f5f23802d'},
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# {'ELPA-2022.05.001_fix_hardcoded_perl_path.patch':
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# '1666a133393b3947a80069ae170a51f4d574956f384c01b7018e4b551726a3a2'},
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]
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builddependencies = [
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('Autotools', '20220317'),
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# remove_xcompiler script requires 'python' command,
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# ('Python', '3.10.8'),
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# ('Perl', '5.36.0'),
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]
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preconfigopts = './autogen.sh && '
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preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
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preconfigopts += 'autoreconf && '
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preconfigopts = "export FC='mpiifort' && "
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preconfigopts += "export CC='mpicc' && "
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preconfigopts += 'export FCFLAGS="-O3 -xAVX2" && '
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preconfigopts += 'export CFLAGS="-O3 -march=native -mavx2 -mfma -funsafe-loop-optimizations -funsafe-math-optimizations -ftree-vect-loop-version -ftree-vectorize" && '
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preconfigopts += 'export SCALAPACK_LDFLAG=S"-L$MKLROOT/lib/intel64 -lmkl_scalapack_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lmkl_blacs_intelmpi_lp64 -lpthread " && '
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preconfigopts += 'export SCALAPACK_FCFLAGS="-I$MKL_HOME/include/intel64/lp64" && '
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maxparallel = 1
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moduleclass = 'math'
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