gnu: Add coordgenlibs.
* gnu/packages/chemistry.scm (coordgenlibs): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
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@ -771,3 +771,30 @@ (define-public maeparser
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(synopsis "Maestro file parser")
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(description "maeparser is a parser for Schrodinger Maestro files.")
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(license license:expat)))
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(define-public coordgenlibs
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(package
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(name "coordgenlibs")
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(version "3.0.1")
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(source (origin
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(method git-fetch)
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(uri (git-reference
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(url "https://github.com/schrodinger/coordgenlibs/")
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(commit (string-append "v" version))))
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(file-name (git-file-name name version))
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(sha256
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(base32
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"0d09x3v38i9y184bml020bq7xizdrdwng38qmdxlplzfhqkjdidv"))))
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(build-system cmake-build-system)
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(arguments
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(list
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#:configure-flags
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#~(list "-DCOORDGEN_RIGOROUS_BUILD=OFF"
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"-DCOORDGEN_USE_MAEPARSER=ON")))
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(inputs (list boost maeparser))
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(home-page "https://github.com/schrodinger/coordgenlibs/")
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(synopsis "2D molecule coordinate generation")
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(description "@code{coordgenlibs} contains algorithms to generate 2D
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coordinates of molecules including macrocycles and metal complexes. It has an
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emphasis on quality rather than speed.")
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(license license:bsd-3)))
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