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new file: b/BerkeleyGW/BerkeleyGW-2.1.0-intel-2020b-Python-3.8.6.eb new file: b/BerkeleyGW/BerkeleyGW-2.1.0_missing_file.patch new file: b/BerkeleyGW/BerkeleyGW-2.1.0_tests.patch new file: d/DFTB+/DFTB+-21.1-intel-2020b-Python-3.8.6.eb new file: d/DFTB+/config.cmake-MANUAL-INSTALATION.patch new file: d/dftd3-lib/dftd3-lib-0.9.2-GCC-10.2.0.eb new file: d/dftd3-lib/dftd3-lib-0.9.2_fix-extras-syntax.patch new file: e/ELPA/ELPA-2019.11.001-intel-2020b.eb new file: h/HDF5/HDF5-1.10.6-iimpi-2020b.eb new file: h/h5py/h5py-2.10.0-intel-2020b-Python-3.8.6.eb new file: h/hypothesis/hypothesis-6.13.1-GCC-10.2.0.eb new file: i/impi/impi-2021.2.0-intel-compilers-2021.2.0.eb new file: i/intel-compilers/intel-compilers-2021.2.0.eb new file: n/Newton-X/Newton-X-2.2-B09-intel-2020b.eb new file: n/Newton-X/newton-x-2.2.patch new file: p/pkgconfig/pkgconfig-1.5.1-GCCcore-10.2.0-python.eb new file: p/pybind11/pybind11-2.4.3-GCC-10.2.0-Python-3.8.6.eb new file: p/pybind11/pybind11-2.6.0-GCC-10.2.0-Python-3.8.6.eb new file: s/Schrodinger/Schrodinger_2021-2_Linux-x86_64.eb new file: s/SciPy-bundle/SciPy-bundle-2020.03-intel-2020b-Python-3.8.6.eb new file: s/SciPy-bundle/SciPy-bundle-2021.05-intel-2020b.eb
41 lines
1.3 KiB
Plaintext
41 lines
1.3 KiB
Plaintext
# IT4Innovations 2021
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# LK
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easyblock = 'PythonPackage'
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name = 'h5py'
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version = '2.10.0'
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versionsuffix = '-Python-%(pyver)s'
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homepage = 'https://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': '2020b'}
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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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#patches = ['h5py-%(version)s_avoid-mpi-init.patch']
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#checksums = [
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# '84412798925dc870ffd7107f045d7659e60f5d46d1c70c700375248bf6bf512d', # h5py-2.10.0.tar.gz
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# '6bacb71f5d9fbd7bd9a01018d7fe21b067a2317f33c4a7c21fde9cd404c1603f', # h5py-2.10.0_avoid-mpi-init.patch
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#]
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builddependencies = [('pkgconfig', '1.5.1', versionsuffix)]
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dependencies = [
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('Python', '3.8.6'),
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('SciPy-bundle', '2020.03', versionsuffix),
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('HDF5', '1.10.6', '', ('iimpi', '2020b')),
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]
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use_pip = False
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download_dep_fail = 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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moduleclass = 'data'
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