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4fbadeb08a
new file: b/Boost/Boost-1.79.0-intel-compilers-2022.1.0.eb new file: c/CheMPS2/CheMPS2-1.8.12-intel-2022a.eb new file: g/gau2grid/gau2grid-2.0.7-intel-2022a-lmax-5-psi4.eb new file: m/mctc-lib/mctc-lib-0.3.1-GCC-11.2.0.eb new file: m/msgpack/msgpack-1.0.5-GCCcore-11.3.0.eb new file: p/Pint/Pint-0.20.1-GCCcore-11.3.0.eb new file: p/pydantic/pydantic-1.10.6-GCCcore-11.3.0.eb new file: q/qcengine/qcengine-0.24.1-foss-2021b.eb new file: q/qcengine/qcengine-0.24.1-psi4.patch new file: q/qcengine/qcengine-0.26.0-foss-2021b.eb new file: q/qcengine/qcengine-0.26.0-psi4.patch new file: s/simple-dftd3/simple-dftd3-0.7.0-foss-2021b.eb deleted: c/CheMPS2/CheMPS2-1.8.9-intel-2021a.eb
25 lines
615 B
Plaintext
25 lines
615 B
Plaintext
easyblock = 'CMakeMake'
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name = 'mctc-lib'
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version = '0.3.1'
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homepage = 'https://github.com/grimme-lab/mctc-lib'
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description = 'Modular computation tool chain library'
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toolchain = {'name': 'GCC', 'version': '11.2.0'}
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source_urls = ['https://github.com/grimme-lab/mctc-lib/archive']
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sources = ['v%(version)s.tar.gz']
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checksums = ['03dc8ccba37413da70e55a07cef8e8de53bce33f5bb52c1f8db5fec326abe083']
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builddependencies = [
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('CMake', '3.22.1'),
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]
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sanity_check_paths = {
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'files': ['bin/mctc-convert', 'lib/libmctc-lib.a'],
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'dirs': ['include/mctc-lib', 'lib/pkgconfig', 'share'],
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}
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moduleclass = 'tools'
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