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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
55 lines
1.6 KiB
Plaintext
55 lines
1.6 KiB
Plaintext
# JH 2020
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easyblock = 'PythonBundle'
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name = 'SciPy-bundle'
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version = '2020.03'
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versionsuffix = '-Python-%(pyver)s'
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homepage = 'https://python.org/'
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description = "Bundle of Python packages for scientific software"
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toolchain = {'name': 'intel', 'version': '2020a'}
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toolchainopts = {'pic': True, 'lowopt': True}
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dependencies = [
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('Python', '3.7.8'),
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('pybind11', '2.4.3', versionsuffix), # required by scipy
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]
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use_pip = True
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exts_default_options = {'source_urls': [PYPI_SOURCE]}
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# order is important!
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exts_list = [
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('numpy', '1.18.3', {
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'patches': ['numpy-1.18.2-mkl.patch'],
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'source_tmpl': '%(name)s-%(version)s.zip',
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'checksums': ['e46e2384209c91996d5ec16744234d1c906ab79a701ce1a26155c9ec890b8dc8'],
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}),
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('scipy', '1.4.1', {
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'patches': ['scipy-1.4.1-fix-pthread.patch'],
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'checksums': [
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'dee1bbf3a6c8f73b6b218cb28eed8dd13347ea2f87d572ce19b289d6fd3fbc59', # scipy-1.4.1.tar.gz
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'4e2162a93caddce63a1aa2dfb6c181774a4f6615950e1d60c54bb4308fee3bb3', # scipy-1.4.1-fix-pthread.patch
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],
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}),
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('mpi4py', '3.0.3', {
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'checksums': ['012d716c8b9ed1e513fcc4b18e5af16a8791f51e6d1716baccf988ad355c5a1f'],
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}),
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('pandas', '1.0.3', {
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'checksums': ['32f42e322fb903d0e189a4c10b75ba70d90958cc4f66a1781ed027f1a1d14586'],
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}),
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('mpmath', '1.1.0', {
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'checksums': ['fc17abe05fbab3382b61a123c398508183406fa132e0223874578e20946499f6'],
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}),
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('deap', '1.3.1', {
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'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'],
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}),
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]
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sanity_pip_check = True
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moduleclass = 'lang'
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