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new file: e/ELSI/ELSI-2.5.0-intel-2020b.eb new file: f/FFTW/FFTW-3.3.8-gompi-2020a-amd.eb new file: l/libGridXC/libGridXC-0.8.5-iimpi-2020b.eb new file: l/libPSML/libPSML-1.1.8-iccifort-2020.4.304.eb new file: l/libxc/libxc-4.3.4-intel-2020b.eb new file: p/PETSc/PETSc-3.12.4-intel-2020b.eb new file: s/SLEPc/SLEPc-3.13.3-intel-2020a-Python-3.8.6.eb new file: s/Siesta/Siesta-4.1-Max-1.2.0-intel-2020b.eb new file: s/Siesta/Siesta-4.1-b5-intel-2020b-test.eb new file: t/TotalView/TotalView-2021.2.14.eb new file: x/xmlf90/xmlf90-1.5.4-iccifort-2020.4.304.eb
38 lines
1.1 KiB
Plaintext
38 lines
1.1 KiB
Plaintext
# IT4Innovations
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# LK 2021
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name = 'ELSI'
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version = '2.5.0'
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homepage = 'https://wordpress.elsi-interchange.org/'
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description = """ELSI provides and enhances scalable, open-source software library solutions for
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electronic structure calculations in materials science, condensed matter physics, chemistry, and many other fields.
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ELSI focuses on methods that solve or circumvent eigenvalue problems in electronic structure theory.
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The ELSI infrastructure should also be useful for other challenging eigenvalue problems.
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"""
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toolchain = {'name': 'intel', 'version': '2020b'}
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toolchainopts = {'usempi': True, 'pic': True}
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source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2020/02/']
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sources = [SOURCELOWER_TAR_GZ]
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checksums = ['f4d77c4291341c9708ab8070dc4ec683577b3556e7d9f214370d626dc6a4753f']
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builddependencies = [
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('flex', '2.6.4'),
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('Bison', '3.7.1'),
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('CMake', '3.20.1', '', True),
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]
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dependencies = [
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('ELPA', '2019.11.001'),
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# ('SLEPc', '3.13.3'),
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]
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# SLEPc and internal PEXSI can't coexist due to conflicting dependencies
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build_internal_pexsi = False
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runtest = True
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moduleclass = 'math'
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