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[bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs.
From: |
David Elsing |
Subject: |
[bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs. |
Date: |
Fri, 7 Oct 2022 15:21:46 +0000 |
* gnu/packages/chemistry.scm (coordgenlibs): New variable.
---
gnu/packages/chemistry.scm | 27 +++++++++++++++++++++++++++
1 file changed, 27 insertions(+)
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 6eb1e4a694..1510cbab41 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -791,3 +791,30 @@ (define-public maeparser
(synopsis "Maestro file parser")
(description "maeparser is a parser for Schrodinger Maestro files.")
(license license:expat)))
+
+(define-public coordgenlibs
+ (package
+ (name "coordgenlibs")
+ (version "3.0.1")
+ (source (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/schrodinger/coordgenlibs/")
+ (commit (string-append "v" version))))
+ (file-name (git-file-name name version))
+ (sha256
+ (base32
+ "0d09x3v38i9y184bml020bq7xizdrdwng38qmdxlplzfhqkjdidv"))))
+ (build-system cmake-build-system)
+ (native-inputs (list boost))
+ (inputs (list maeparser))
+ (arguments
+ (list
+ #:configure-flags
+ #~(list "-DCOORDGEN_RIGOROUS_BUILD=OFF"
+ "-DCOORDGEN_USE_MAEPARSER=ON")))
+ (home-page "https://github.com/schrodinger/coordgenlibs/")
+ (synopsis "2D coordinate generation")
+ (description "@code{coordgenlibs} contains algorithms to generate 2D
+coordinates. It has an emphasis on quality rather than speed.")
+ (license license:bsd-3)))
--
2.37.0
- [bug#58261] [PATCH v3 12/15] gnu: Add yaehmop., (continued)
- [bug#58261] [PATCH v3 12/15] gnu: Add yaehmop., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 13/15] gnu: Add avalon-toolkit., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 15/15] gnu: Add rdkit., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 08/15] gnu: Add gemmi., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 11/15] gnu: Add coordgenlibs., David Elsing, 2022/10/13
- [bug#58261] [PATCH v3 10/15] gnu: Add maeparser., David Elsing, 2022/10/13
- [bug#58261] [PATCH v2 01/13] gnu: Add fast-float., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 05/13] gnu: Add optionparser., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 08/13] gnu: Add maeparser., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs.,
David Elsing <=
- [bug#58261] [PATCH v2 11/13] gnu: Add avalontoolkit., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 13/13] gnu: Add rdkit., David Elsing, 2022/10/07
- [bug#58261] [PATCH v2 02/13] gnu: Add pocketfft., David Elsing, 2022/10/07