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c146dae1ed
new file: d/dftd3-lib/dftd3-lib-0.9-GCC-9.3.0.eb new file: d/dftd3-lib/dftd3-lib-0.9_fix-extras-syntax.patch
43 lines
1.2 KiB
Plaintext
43 lines
1.2 KiB
Plaintext
# IT4Innovations 2020
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# LK
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easyblock = 'MakeCp'
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name = 'dftd3-lib'
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version = '0.9'
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homepage = 'https://github.com/dftbplus/dftd3-lib'
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description = """This is a repackaged version of the DFTD3 program by S. Grimme and his coworkers.
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The original program (V3.1 Rev 1) was downloaded at 2016-04-03. It has been
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converted to free format and encapsulated into modules."""
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toolchain = {'name': 'GCC', 'version': '9.3.0'}
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toolchainopts = {'pic': True}
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github_account = 'dftbplus'
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source_urls = [GITHUB_SOURCE]
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sources = ['%(version)s.tar.gz']
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patches = ['dftd3-lib-%(version)s_fix-extras-syntax.patch']
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checksums = [
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'0a015659b5179dff1728a109c3e9b095e6bccc5704de9239aa3844008a9a82df', # 0.9.tar.gz
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'717e719170258544555bfc33390a70c2573d971c6548d8f2c951a5606ec77f74', # dftd3-lib-0.9_fix-extras-syntax.patch
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]
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parallel = 1
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buildopts = 'FC="$FC" FCFLAGS="$FCFLAGS" LNFLAGS="$LDFLAGS"'
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files_to_copy = [
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(['prg/dftd3', 'test/testapi'], 'bin'),
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(['lib/libdftd3.a'], 'lib'),
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(['lib/*.mod', 'prg/*.mod'], 'include'),
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(['doc/man.pdf', 'CHANGELOG.rst', 'LICENSE', 'README.rst'], 'share'),
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]
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sanity_check_paths = {
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'files': ['bin/dftd3', 'bin/testapi', 'lib/libdftd3.a'],
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'dirs': ['include', 'share'],
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}
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moduleclass = 'chem'
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