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[bug#46107] [PATCH 5/6] gnu: Add avogadrolibs.
From: |
Kei Kebreau |
Subject: |
[bug#46107] [PATCH 5/6] gnu: Add avogadrolibs. |
Date: |
Mon, 25 Jan 2021 16:22:47 -0500 |
* gnu/packages/chemistry.scm (avogadrolibs): New variable.
---
gnu/packages/chemistry.scm | 44 ++++++++++++++++++++++++++++++++++++++
1 file changed, 44 insertions(+)
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 73aed08d43..9d4c6f07fa 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -30,6 +30,7 @@
#:use-module (gnu packages)
#:use-module (gnu packages algebra)
#:use-module (gnu packages autotools)
+ #:use-module (gnu packages backup)
#:use-module (gnu packages boost)
#:use-module (gnu packages check)
#:use-module (gnu packages compression)
@@ -44,6 +45,7 @@
#:use-module (gnu packages python)
#:use-module (gnu packages python-xyz)
#:use-module (gnu packages qt)
+ #:use-module (gnu packages serialization)
#:use-module (gnu packages sphinx)
#:use-module (gnu packages xml)
#:use-module (guix build-system cmake)
@@ -135,6 +137,48 @@ science, and related areas. It offers flexible high
quality rendering and a
powerful plugin architecture.")
(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
(package
(name "domainfinder")
--
2.29.2
- [bug#46107] [PATCH 1/6] gnu: Add spglib., Kei Kebreau, 2021/01/25
- [bug#46107] [PATCH 2/6] gnu: Add mmtf-cpp., Kei Kebreau, 2021/01/25
- [bug#46107] [PATCH 6/6] gnu: Add avogadro2., Kei Kebreau, 2021/01/25
- [bug#46107] [PATCH 6/6] gnu: Add avogadro2., Leo Famulari, 2021/01/25
- bug#46107: [PATCH 6/6] gnu: Add avogadro2., Kei, 2021/01/25
- [bug#46107] [PATCH 6/6] gnu: Add avogadro2., Leo Famulari, 2021/01/28
- [bug#46107] [PATCH 6/6] gnu: Add avogadro2., kkebreau, 2021/01/29
- [bug#46107] [PATCH 6/6] gnu: Add avogadro2., Leo Famulari, 2021/01/29
[bug#46107] [PATCH 5/6] gnu: Add avogadrolibs.,
Kei Kebreau <=
[bug#46107] [PATCH 3/6] gnu: Add molequeue., Kei Kebreau, 2021/01/25
[bug#46107] [PATCH 4/6] gnu: Add libmsym., Kei Kebreau, 2021/01/25
[bug#46107] [PATCH 1/6] gnu: Add spglib., Leo Famulari, 2021/01/25