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modified: b/Boost/Boost-1.77.0-gompi-2021a.eb modified: c/CMake/CMake-3.16.2.eb new file: e/ELPA/ELPA-2019.11.001-intel-2021a.eb modified: e/ELPA/ELPA-2023.11.001-intel-2023b.eb modified: h/HDF5/HDF5-1.10.6-intel-2020a.eb modified: i/IOTK/IOTK-1.2.2-intel-2020a.eb modified: j/Java/Java-1.8.0_221.eb modified: n/NVHPC/NVHPC-21.9.eb modified: n/netCDF-Fortran/netCDF-Fortran-4.5.2-intel-2020a.eb modified: n/netCDF/netCDF-4.7.3-intel-2020a.eb new file: p/PETSc/PETSc-3.21.2-foss-2022b.eb new file: p/petsc4py/petsc4py-3.21.2-foss-2022b.eb modified: q/QMCPACK/QMCPACK-3.14.0-foss-2021a-Python-3.9.5.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-6.7-intel-2020a-MaX.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.2-intel-2021a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.3-intel-2021a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-7.3.1-intel-2023b-gpu.eb new file: s/SLEPc/SLEPc-3.21.1-foss-2022b.eb new file: s/slepc4py/slepc4py-3.21.1-foss-2022b.eb new file: s/sqsgenerator/sqsgenerator-0.3-conda.eb modified: s/sqsgenerator/sqsgenerator-0.3-foss-2023b-Python-3.11.5.eb new file: y/Yambo/Yambo-5.2.3-intel-2020a.eb
30 lines
927 B
Plaintext
30 lines
927 B
Plaintext
#IT4Innovations
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#LK 2024
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name = 'ELPA'
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version = '2019.11.001'
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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': '2021a'}
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toolchainopts = {'openmp': True, 'usempi': True}
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source_urls = ['https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/%(version)s/']
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sources = [SOURCELOWER_TAR_GZ]
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checksums = ['10374a8f042e23c7e1094230f7e2993b6f3580908a213dbdf089792d05aff357']
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builddependencies = [
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('Autotools', '20210128'),
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# remove_xcompiler script requires 'python' command,
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# manual_cpp script requires 'python' command and is not compatible yet with Python 3
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# ('Python', '2.7.18'),
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]
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# When building in parallel, the file test_setup_mpi.mod is sometimes
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# used before it is built, leading to an error. This must be a bug in
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# the makefile affecting parallel builds.
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maxparallel = 1
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moduleclass = 'math'
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