From: Kei Kebreau <kkebreau@posteo.net>
To: 46107@debbugs.gnu.org
Cc: Kei Kebreau <kkebreau@posteo.net>
Subject: [bug#46107] [PATCH 6/6] gnu: Add avogadro2.
Date: Mon, 25 Jan 2021 16:22:48 -0500 [thread overview]
Message-ID: <20210125212248.4749-5-kkebreau@posteo.net> (raw)
In-Reply-To: <20210125212248.4749-1-kkebreau@posteo.net>
* gnu/packages/chemistry.scm (avogadro2): New variable.
---
gnu/packages/chemistry.scm | 35 +++++++++++++++++++++++++++++++++++
1 file changed, 35 insertions(+)
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 9d4c6f07fa..8fe51d79ee 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -179,6 +179,41 @@ processing useful in computational chemistry, molecular modeling,
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")
--
2.29.2
next prev parent reply other threads:[~2021-01-25 21:24 UTC|newest]
Thread overview: 15+ messages / expand[flat|nested] mbox.gz Atom feed top
2021-01-25 21:20 [bug#46107] [PATCH 1/6] gnu: Add spglib Kei Kebreau
2021-01-25 21:22 ` [bug#46107] [PATCH 2/6] gnu: Add mmtf-cpp Kei Kebreau
2021-01-25 21:22 ` [bug#46107] [PATCH 3/6] gnu: Add molequeue Kei Kebreau
2021-01-25 22:18 ` Leo Famulari
2021-01-26 3:21 ` Kei
2021-01-25 21:22 ` [bug#46107] [PATCH 4/6] gnu: Add libmsym Kei Kebreau
2021-01-25 21:22 ` [bug#46107] [PATCH 5/6] gnu: Add avogadrolibs Kei Kebreau
2021-01-25 21:22 ` Kei Kebreau [this message]
2021-01-25 22:19 ` [bug#46107] [PATCH 6/6] gnu: Add avogadro2 Leo Famulari
2021-01-26 3:24 ` bug#46107: " Kei
2021-01-29 1:05 ` [bug#46107] " Leo Famulari
2021-01-29 16:28 ` kkebreau
2021-01-29 20:20 ` Leo Famulari
2021-01-25 22:17 ` [bug#46107] [PATCH 1/6] gnu: Add spglib Leo Famulari
2021-01-26 3:20 ` Kei
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