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852d8b9650
new file: g/GlobalArrays/GlobalArrays-5.7.2-intel-2020a.eb modified: h/HDF5/HDF5-1.10.6-intel-2020a.eb new file: h/h5py/h5py-2.9.0-Py-2.7.eb new file: m/mpi4py/mpi4py-3.0.1-intel-2020a-Py-2.7.eb modified: o/OVITO/OVITO-3.0.0.628.eb modified: o/OVITO/OVITO-3.0.0.794-basic.eb
41 lines
1.5 KiB
Plaintext
41 lines
1.5 KiB
Plaintext
# IT4Innovations 2020
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easyblock = 'ConfigureMake'
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name = 'GlobalArrays'
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version = '5.7.2'
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homepage = 'http://hpc.pnl.gov/globalarrays'
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description = "Global Arrays (GA) is a Partitioned Global Address Space (PGAS) programming model"
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toolchain = {'name': 'intel', 'version': '2020a'}
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toolchainopts = {'usempi': True}
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source_urls = ['https://github.com/GlobalArrays/ga/releases/download/']
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sources = ['v%(version)s/ga-%(version)s.tar.gz']
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# patch for bugs on v5.7 causing errors on NWChem
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#patches = [
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# 'GlobalArrays-v5.7_ga_diag_std.patch', # fix bug ga_diag_std https://github.com/GlobalArrays/ga/pull/101
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# 'GlobalArrays-v5.7-intel-2018b-MKL_issue.patch', # fix MKL issue https://github.com/GlobalArrays/ga/pull/122
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#]
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checksums = [
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'8cd0fcfd85bc7f9c168c831616f66f1e8b9b2ca31dc7dd93cc55b27cc7fe7069',
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# '8049543e6442e13acb54cb4afd9a6ad78102864b2ef138ad9f4b1a45bd0666bb', # GlobalArrays-v5.7_ga_diag_std.patch
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# 'e5b9fff47d471b3552b167b82153f8f1fd6406c52e39a11b693cb9c4bf12645e', # GlobalArrays-v5.7-intel-2018b-MKL_issue.patch
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]
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configopts = ' --with-mpi --enable-i8'
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configopts += ' --with-blas8="-L$EBROOTIMKL/mkl/lib/intel64 -lmkl_sequential -lmkl_intel_ilp64"'
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configopts += ' --with-scalapack8="-L$EBROOTIMKL/mkl/lib/intel64 -lmkl_sequential -lmkl_scalapack_ilp64"'
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# select armci network as (Comex) MPI-1 two-sided
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configopts += ' --with-mpi-ts'
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sanity_check_paths = {
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'files': ['bin/adjust.x', 'bin/collisions.x', 'bin/ga-config', 'lib/libarmci.a', 'lib/libcomex.a', 'lib/libga.a'],
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'dirs': ['include'],
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}
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moduleclass = 'lib'
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