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31 lines
1.0 KiB
Plaintext
31 lines
1.0 KiB
Plaintext
# ABINIT recipe
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# 2015 Martin Stachon <martin.stachon@vsb.cz>
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##
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easyblock = "ConfigureMake"
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name = 'ABINIT'
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version = '7.10.1'
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homepage = 'http://www.abinit.org/'
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description = """Abinit is a plane wave pseudopotential code for doing
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condensed phase electronic structure calculations using DFT."""
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toolchain = {'name': 'foss', 'version': '2015b'}
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# eg. http://ftp.abinit.org/abinit-7.10.1.tar.gz
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sources = [('abinit-%s.tar.gz' % (version), 'tar xfz %s')]
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source_urls = ['http://ftp.abinit.org/']
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#sanity_check_paths = {
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# 'files': ["bin/abinit"],
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# 'dirs': []
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# }
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moduleclass = 'chem'
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configopts = '''CC=mpicc CXX=mpicxx FC=mpif90 --enable-mpi --enable-mpi-io --enable-64bit-flags --enable-optim="yes" --enable-clib="yes"''' + \
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''' --enable-gw-dpc="yes" --enable-memory-profiling="no" --enable-openmp="no" --enable-maintainer-checks="no"''' + \
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''' --enable-debug="no" ''' + \
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''' --with-trio-flavor="netcdf+etsf_io+fox" --with-dft-flavor="atompaw+bigdft+libxc+wannier90"'''
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