gnu: Add coordgenlibs.
* gnu/packages/chemistry.scm (coordgenlibs): New variable. Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>master
parent
f170715398
commit
697f0c8a6a
|
@ -771,3 +771,30 @@ of the algorithms, the calculations give identical results.")
|
||||||
(synopsis "Maestro file parser")
|
(synopsis "Maestro file parser")
|
||||||
(description "maeparser is a parser for Schrodinger Maestro files.")
|
(description "maeparser is a parser for Schrodinger Maestro files.")
|
||||||
(license license:expat)))
|
(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)))
|
||||||
|
|
Reference in New Issue