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gnu: Add avogadrolibs.

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* gnu/packages/chemistry.scm (avogadrolibs): New variable.
This commit is contained in:
Kei Kebreau 2021-01-23 12:23:11 -05:00
parent 68dabe3c1c
commit 1d41f77701
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1 changed files with 44 additions and 0 deletions
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44
gnu/packages/chemistry.scm
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@ -30,6 +30,7 @@ (define-module (gnu packages chemistry)
#:use-module (gnu packages) #:use-module (gnu packages)
#:use-module (gnu packages algebra) #:use-module (gnu packages algebra)
#:use-module (gnu packages autotools) #:use-module (gnu packages autotools)
#:use-module (gnu packages backup)
#:use-module (gnu packages boost) #:use-module (gnu packages boost)
#:use-module (gnu packages check) #:use-module (gnu packages check)
#:use-module (gnu packages compression) #:use-module (gnu packages compression)
@ -44,6 +45,7 @@ (define-module (gnu packages chemistry)
#:use-module (gnu packages python) #:use-module (gnu packages python)
#:use-module (gnu packages python-xyz) #:use-module (gnu packages python-xyz)
#:use-module (gnu packages qt) #:use-module (gnu packages qt)
#:use-module (gnu packages serialization)
#:use-module (gnu packages sphinx) #:use-module (gnu packages sphinx)
#:use-module (gnu packages xml) #:use-module (gnu packages xml)
#:use-module (guix build-system cmake) #:use-module (guix build-system cmake)
@ -135,6 +137,48 @@ (define-public avogadro
powerful plugin architecture.") powerful plugin architecture.")
(license license:gpl2+))) (license license:gpl2+)))
(define-public avogadrolibs
(package
(name "avogadrolibs")
(version "1.93.0")
(source
(origin
(method git-fetch)
(uri (git-reference
(url "https://github.com/OpenChemistry/avogadrolibs")
(commit version)))
(sha256
(base32 "1xivga626n5acnmwmym8svl0pdri8hkp59czf04ri2zflnviyh39"))
(file-name (git-file-name name version))))
(build-system cmake-build-system)
(native-inputs
`(("eigen" ,eigen)
("mmtf-cpp" ,mmtf-cpp)
("msgpack" ,msgpack)
("googletest" ,googletest)
("pkg-config" ,pkg-config)
("pybind11" ,pybind11)))
(inputs
`(("glew" ,glew)
("libarchive" ,libarchive)
("libmsym" ,libmsym)
("molequeue" ,molequeue)
("python" ,python)
("spglib" ,spglib)
("qtbase" ,qtbase)))
(arguments
'(#:configure-flags (list "-DENABLE_TESTING=ON"
(string-append "-DSPGLIB_INCLUDE_DIR="
(assoc-ref %build-inputs "spglib")
"/include"))))
(home-page "https://www.openchemistry.org/projects/avogadro2/")
(synopsis "Libraries for chemistry, bioinformatics, and related areas")
(description
"Avogadro libraries provide 3D rendering, visualization, analysis and data
processing useful in computational chemistry, molecular modeling,
bioinformatics, materials science, and related areas.")
(license license:bsd-3)))
(define-public domainfinder (define-public domainfinder
(package (package
(name "domainfinder") (name "domainfinder")