gnu: Add avogadro2.

* gnu/packages/chemistry.scm (avogadro2): New variable.
This commit is contained in:
Kei Kebreau 2021-01-23 17:29:50 -05:00
parent 1d41f77701
commit cf31ee0427
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@ -179,6 +179,41 @@ (define-public avogadrolibs
bioinformatics, materials science, and related areas.")
(license license:bsd-3)))
(define-public avogadro2
(package
(name "avogadro2")
(version "1.93.0")
(source
(origin
(method git-fetch)
(uri (git-reference
(url "https://github.com/OpenChemistry/avogadroapp")
(commit version)))
(sha256
(base32
"1z3pjlwja778a1dmvx9aqz2hlw5q9g3kqxhm9slz08452600jsv7"))
(file-name (git-file-name name version))))
(build-system cmake-build-system)
(native-inputs
`(("eigen" ,eigen)
("pkg-config" ,pkg-config)))
(inputs
`(("avogadrolibs" ,avogadrolibs)
("hdf5" ,hdf5)
("molequeue" ,molequeue)
("qtbase" ,qtbase)))
;; TODO: Enable tests with "-DENABLE_TESTING" configure flag.
(arguments
'(#:tests? #f))
(home-page "https://www.openchemistry.org/projects/avogadro2/")
(synopsis "Advanced molecule editor")
(description
"Avogadro 2 is an advanced molecule editor and visualizer designed for use
in computational chemistry, molecular modeling, bioinformatics, materials
science, and related areas. It offers flexible high quality rendering and a
powerful plugin architecture.")
(license license:bsd-3)))
(define-public domainfinder
(package
(name "domainfinder")