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