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7603c1f655
new file: p/PySCF/PySCF-2.8.0-foss-2023b.eb new file: x/XCFun/XCFun-2.1.1-GCCcore-13.2.0.eb
30 lines
700 B
Plaintext
30 lines
700 B
Plaintext
# IT4Innovations
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# PH 2025
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easyblock = 'CMakeMake'
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name = 'XCFun'
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version = '2.1.1'
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homepage = 'https://xcfun.readthedocs.io'
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description = """Arbitrary order exchange-correlation functional library"""
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toolchain = {'name': 'GCCcore', 'version': '13.2.0'}
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source_urls = ['https://github.com/dftlibs/xcfun/archive/']
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sources = ['v%(version)s.tar.gz']
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checksums = ['8b602df74c7be83d501532565deafd1b7881946d94789122f24c309a669298ab']
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builddependencies = [
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('binutils', '2.40'),
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('CMake', '3.27.6')
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]
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modextravars = {'XCFun_DIR': '%(installdir)s/share/cmake/XCFun/'}
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sanity_check_paths = {
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'files': ['lib/libxcfun.%s' % SHLIB_EXT],
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'dirs': ['include/XCFun']
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}
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moduleclass = 'chem' |