GNU bug report logs -
#46107
[PATCH 1/6] gnu: Add spglib.
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Reported by: Kei Kebreau <kkebreau <at> posteo.net>
Date: Mon, 25 Jan 2021 21:22:02 UTC
Severity: normal
Tags: patch
Done: Kei <kkebreau <at> posteo.net>
Bug is archived. No further changes may be made.
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* gnu/packages/chemistry.scm (libmsym): New variable.
---
gnu/packages/chemistry.scm | 24 ++++++++++++++++++++++++
1 file changed, 24 insertions(+)
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 2b54df564e..73aed08d43 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -242,6 +242,30 @@ analogy is that InChI is the bar-code for chemistry and chemical structures.")
"file://LICENCE"
"See LICENCE in the distribution."))))
+(define-public libmsym
+ (package
+ (name "libmsym")
+ (version "0.2.3")
+ (source
+ (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/mcodev31/libmsym")
+ (commit (string-append "v" version))))
+ (sha256
+ (base32
+ "0a9j28irdsr461qpzlc9z1yjyb9kp64fh5zw7ylspc9zn3189qwk"))
+ (file-name (git-file-name name version))))
+ (build-system cmake-build-system)
+ (arguments
+ '(#:configure-flags '("-DBUILD_SHARED_LIBS=ON")
+ #:tests? #f)) ; no check target
+ (home-page "https://github.com/mcodev31/libmsym")
+ (synopsis "C library dealing with point group symmetry in molecules")
+ (description "libmsym is a C library dealing with point group symmetry in
+molecules.")
+ (license license:expat)))
+
(define-public mmtf-cpp
(package
(name "mmtf-cpp")
--
2.29.2
This bug report was last modified 4 years and 113 days ago.
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