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39 lines
1.2 KiB
Plaintext
39 lines
1.2 KiB
Plaintext
easyblock = 'MakeCp'
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name = 'Yambo'
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version = '3.4.2'
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homepage = 'http://www.yambo-code.org'
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description = """Yambo is a FORTRAN/C code for Many-Body calculations in solid state and molecular physics.
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Yambo relies on the Kohn-Sham wavefunctions generated by two DFT public codes: abinit, and PWscf."""
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toolchain = {'name': 'intel', 'version': '2016.02-GCC-4.9'}
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toolchainopts = {'usempi': True}
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sources = [SOURCELOWER_TGZ]
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source_urls = ['http://qe-forge.org/gf/download/frsrelease/208/932/']
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checksums = ['f0820a0f42dfc81ce3811af647bed777']
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dependencies = [('netCDF-Fortran', '4.4.2')]
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with_configure = 'True'
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configopts = 'CPPFLAGS="" FCFLAGS="-nofor_main" --with-blas-libs="$LIBBLAS" '
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configopts += '--with-lapack-libs="$LIBLAPACK" --with-blacs-libs="$LIBBLACS" '
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configopts += '--with-scalapack-libs="$LIBSCALAPACK" --with-fft-libs="$LIBFFT" '
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configopts += '--with-netcdf-libs="-lnetcdff -lnetcdf"'
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buildopts = 'all'
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parallel = 1
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files_to_copy = [(['bin/*'], 'bin')]
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sanity_check_paths = {
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'files': ['bin/'+prog for prog in ['a2y', 'iotk', 'iotk.x', 'p2y', 'yambo',
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'yambo_kerr', 'yambo_ph', 'yambo_surf', 'ypp', 'ypp_ph', 'ypp_surf']],
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'dirs': []
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}
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moduleclass = 'phys'
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