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33 lines
1.1 KiB
Plaintext
33 lines
1.1 KiB
Plaintext
name = 'Libint'
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version = '1.1.4'
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homepage = 'https://sourceforge.net/p/libint/'
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description = """Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body
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matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory."""
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toolchain = {'name': 'CrayGNU', 'version': '2015.06'}
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toolchainopts = {'opt': True, 'pic': True}
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sources = [SOURCELOWER_TAR_GZ]
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source_urls = (
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'http://sourceforge.net/projects/libint/files/v1-releases/',
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'download')
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configopts = "--enable-deriv --enable-r12"
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sanity_check_paths = {
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'files': [
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'include/lib%(x)s/lib%(x)s.h' %
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{
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'x': x} for x in [
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'deriv', 'int', 'r12']] + [
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'include/libint/hrr_header.h', 'include/libint/vrr_header.h'] + [
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'lib/lib%s.a' %
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x for x in [
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'deriv', 'int', 'r12']] + [
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'lib/lib%s.so' %
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x for x in [
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'deriv', 'int', 'r12']], 'dirs': [], }
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moduleclass = 'chem'
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