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new file: d/dotNET-Core-SDK/dotNET-Core-SDK-2.2.101.eb new file: e/ELPA/ELPA-2016.11.001.pre-intel-2017a.eb new file: e/ELPA/ELPA-2017.11.001-intel-2017a.eb new file: h/HDF5/HDF5-1.10.2-intel-2017a.eb new file: l/libxc/libxc-4.2.3-intel-2017a.eb new file: p/phonopy/phonopy-1.14.2-Py-3.6.eb modified: q/QuantumESPRESSO/QuantumESPRESSO-6.3-intel-2017a.eb new file: q/QuantumESPRESSO/QuantumESPRESSO-6.3-intel-2017a.eb.old modified: q/QuantumESPRESSO/QuantumESPRESSO-6.3_drop_LIBS_before_configure_of_fox.patch new file: q/QuantumESPRESSO/QuantumESPRESSO-6.3_drop_LIBS_before_configure_of_fox.patch.old new file: v/VASP/VASP-5.4.4-intel-2017c-mkl=cluster-LONGCHAR.eb
71 lines
2.2 KiB
Plaintext
71 lines
2.2 KiB
Plaintext
##
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# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
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#
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# Authors:: Inge Gutheil <i.gutheil@fz-juelich.de>, Alan O'Cais <a.ocais@fz-juelich.de>
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# License:: MIT/GPL
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# $Id$
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#
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##
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easyblock = 'ConfigureMake'
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name = 'ELPA'
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version = '2016.11.001.pre'
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homepage = 'http://elpa.mpcdf.mpg.de'
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description = """Eigenvalue SoLvers for Petaflop-Applications ."""
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toolchain = {'name': 'intel', 'version': '2017a'}
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toolchainopts = {'usempi': True}
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source_urls = ['http://elpa.mpcdf.mpg.de/html/Releases/%(version)s/']
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sources = [SOURCELOWER_TAR_GZ]
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patches = [
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'%(name)s-%(version)s_install-libelpatest.patch',
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]
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checksums = [
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'69b67f0f6faaa2b3b5fd848127b632be32771636d2ad04583c5269d550956f92', # elpa-2016.11.001.pre.tar.gz
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# ELPA-2016.11.001.pre_install-libelpatest.patch
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'aaee4cbe02a2f2e0b6fa76c1503d049e2958d949f4be13dfa8be9c60043a328b',
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]
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builddependencies = [
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('Autotools', '20180311', '', True),
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]
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preconfigopts = 'autoreconf && '
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common_configopts = 'FCFLAGS="-I$EBROOTIMKL/mkl/include/intel64/lp64 $FCFLAGS" '
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common_configopts += 'LIBS="$LIBSCALAPACK" '
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configopts = [
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common_configopts + '--enable-openmp ',
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common_configopts, # Default version last, so we can get the normal config.h/config-f90.h installed afterwards.
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]
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# Autotools 20180311 makes configure create some files that causes problem
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# Remove them.
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prebuildopts = 'make clean && '
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buildopts = ' V=1 '
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postinstallcmds = [
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'cp config.h config-f90.h %(installdir)s/share/doc/elpa/examples',
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# The include files and Fortran module files are identical with and
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# without openmp.
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'ln -s elpa-%(version)s/elpa %(installdir)s/include',
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'ln -s elpa-%(version)s/modules %(installdir)s/include',
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]
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sanity_check_paths = {
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'files': ['lib/libelpa.a', 'lib/libelpa.%s' % SHLIB_EXT, 'lib/libelpa_openmp.a',
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'lib/libelpa_openmp.%s' % SHLIB_EXT, 'lib/libelpatest.a', 'lib/libelpatest.%s' % SHLIB_EXT,
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'lib/libelpatest_openmp.a', 'lib/libelpatest_openmp.%s' % SHLIB_EXT, 'share/doc/elpa/examples/config.h',
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'share/doc/elpa/examples/config-f90.h'],
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'dirs': ['bin', 'include/elpa-%(version)s/elpa', 'include/elpa-%(version)s/modules', 'lib/pkgconfig'],
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}
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moduleclass = 'math'
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