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new file: d/deepdiff/deepdiff-4.0.6-GCCcore-9.3.0-Python-3.8.2.eb modified: h/HDF5/HDF5-1.10.6-intel-2020a-parallel.eb new file: h/h5py/h5py-2.10.0-intel-2020a.eb new file: i/iccifort/iccifort-2020.1.217.eb new file: i/iimpi/iimpi-2020a.eb.old new file: i/intel/intel-2020a.eb.old modified: l/libxc/libxc-4.3.4-intel-2020a.eb modified: m/METIS/METIS-5.1.0-intel-2020a.eb modified: m/Molden/Molden-6.3-intel-2020a.eb modified: n/netCDF/netCDF-4.7.3-intel-2020a.eb new file: n/networkx/networkx-2.4-intel-2020a-Python-3.8.2.eb new file: o/OpenFOAM/OpenFOAM-v2006-intel-2020a.eb modified: p/PETSc/PETSc-3.12.4-intel-2020a.eb new file: p/PSI4/PSI4-1.3.2-intel-2020a-Py-3.8.2.eb new file: p/pytest/pytest-6.0.1-Python-3.7.8.eb new file: p/pytest/pytest-6.0.1-Python-3.8.2.eb modified: q/QMCPACK/QMCPACK-3.9.1-intel-2020a.eb modified: r/RELION/RELION-3.1.0-intel-2020a.eb modified: s/SCOTCH/SCOTCH-6.0.9-foss-2020a.eb new file: s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020a-Python-3.7.8.eb modified: s/Score-P/Score-P-6.0-intel-2020a.eb modified: s/SuiteSparse/SuiteSparse-5.6.0-intel-2020a-METIS-5.1.0.eb new file: u/UCX/UCX-1.8.0-GCCcore-9.3.0.eb new file: v/VTK/VTK-8.2.0-intel-2020a-Python-3.7.8.eb deleted: i/iimpi/iimpi-2020a.eb deleted: i/intel/intel-2020a.eb deleted: u/UCX/UCX-1.8.1-GCC-9.3.0.eb deleted: u/UCX/UCX-1.8.1-GCCcore-8.3.0.eb deleted: v/VTK/VTK-8.2.0-intel-2020a-Py-3.7.eb
42 lines
1.3 KiB
Plaintext
42 lines
1.3 KiB
Plaintext
# JH 2020
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easyblock = 'PythonPackage'
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name = 'h5py'
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version = '2.10.0'
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homepage = 'http://www.h5py.org/'
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description = """HDF5 for Python (h5py) is a general-purpose Python interface to the Hierarchical Data Format library,
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version 5. HDF5 is a versatile, mature scientific software library designed for the fast, flexible storage of enormous
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amounts of data."""
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toolchain = {'name': 'intel', 'version': '2020a'}
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toolchainopts = {'usempi': True}
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source_urls = [PYPI_SOURCE]
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sources = [SOURCE_TAR_GZ]
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checksums = ['84412798925dc870ffd7107f045d7659e60f5d46d1c70c700375248bf6bf512d']
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builddependencies = [('pkgconfig', '1.5.1', '-Python-3.8.2')]
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dependencies = [
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('Python', '3.8.2'),
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('SciPy-bundle', '2020.03', '-Python-3.8.2'),
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('HDF5', '1.10.6', '', ('iimpi', '2020a')),
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]
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use_pip = False
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download_dep_fail = True
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# required because we're building Python packages using Intel compilers on top of Python built with GCC
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check_ldshared = True
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# to really use mpi enabled hdf5 we now seem to need a configure step, which is the reason we can't use pip
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prebuildopts = ' python setup.py configure --mpi --hdf5=$EBROOTHDF5 && '
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# skip regular 'import h5py', and run it via mpirun (since 'import h5py' results in an MPI_Init call)
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options = {'modulename': False}
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sanity_check_commands = ["%(mpi_cmd_prefix)s python -c 'import %(name)s'"]
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moduleclass = 'data'
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