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gnu: Add coordgenlibs.

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* gnu/packages/chemistry.scm (coordgenlibs): New variable.

Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
This commit is contained in:
David Elsing 2022-10-13 21:04:20 +00:00 committed by Liliana Marie Prikler
parent f170715398
commit 697f0c8a6a
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1 changed files with 27 additions and 0 deletions
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27
gnu/packages/chemistry.scm
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@ -771,3 +771,30 @@ (define-public maeparser
(synopsis "Maestro file parser")
(description "maeparser is a parser for Schrodinger Maestro files.")
(license license:expat)))
(define-public coordgenlibs
(package
(name "coordgenlibs")
(version "3.0.1")
(source (origin
(method git-fetch)
(uri (git-reference
(url "https://github.com/schrodinger/coordgenlibs/")
(commit (string-append "v" version))))
(file-name (git-file-name name version))
(sha256
(base32
"0d09x3v38i9y184bml020bq7xizdrdwng38qmdxlplzfhqkjdidv"))))
(build-system cmake-build-system)
(arguments
(list
#:configure-flags
#~(list "-DCOORDGEN_RIGOROUS_BUILD=OFF"
"-DCOORDGEN_USE_MAEPARSER=ON")))
(inputs (list boost maeparser))
(home-page "https://github.com/schrodinger/coordgenlibs/")
(synopsis "2D molecule coordinate generation")
(description "@code{coordgenlibs} contains algorithms to generate 2D
coordinates of molecules including macrocycles and metal complexes. It has an
emphasis on quality rather than speed.")
(license license:bsd-3)))