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[bug#58261] [PATCH v2 08/13] gnu: Add maeparser.
From: |
David Elsing |
Subject: |
[bug#58261] [PATCH v2 08/13] gnu: Add maeparser. |
Date: |
Fri, 7 Oct 2022 15:21:45 +0000 |
* gnu/packages/chemistry.scm (maeparser): New variable.
---
gnu/packages/chemistry.scm | 21 +++++++++++++++++++++
1 file changed, 21 insertions(+)
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 681e026186..6eb1e4a694 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -770,3 +770,24 @@ (define-public freesasa
parameterized to arbitrary precision, and for high resolution versions of the
algorithms, the calculations give identical results.")
(license license:expat)))
+
+(define-public maeparser
+ (package
+ (name "maeparser")
+ (version "1.3.0")
+ (source (origin
+ (method git-fetch)
+ (uri (git-reference
+ (url "https://github.com/schrodinger/maeparser")
+ (commit (string-append "v" version))))
+ (file-name (git-file-name name version))
+ (sha256
+ (base32
+ "1yv4y5hn49fhylziigsg922bb244lb57p69r7vg9q899zd3l5b7l"))))
+ (build-system cmake-build-system)
+ (native-inputs (list boost))
+ (inputs (list zlib))
+ (home-page "https://github.com/schrodinger/maeparser")
+ (synopsis "Maestro file parser")
+ (description "maeparser is a parser for Schrodinger Maestro files.")
+ (license license:expat)))
--
2.37.0
- [bug#58261] [PATCH v3 09/15] gnu: Add freesasa., (continued)
- [bug#58261] [PATCH v3 09/15] gnu: Add freesasa., David Elsing, 2022/10/13
- [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 <=
- [bug#58261] [PATCH v2 09/13] gnu: Add coordgenlibs., David Elsing, 2022/10/07
- [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