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10/15: gnu: Add maeparser.
From: |
guix-commits |
Subject: |
10/15: gnu: Add maeparser. |
Date: |
Sat, 15 Oct 2022 06:06:31 -0400 (EDT) |
lilyp pushed a commit to branch master
in repository guix.
commit f1707153984f17facac2ba67befe893e29632f7c
Author: David Elsing <david.elsing@posteo.net>
AuthorDate: Thu Oct 13 21:04:19 2022 +0000
gnu: Add maeparser.
* gnu/packages/chemistry.scm (maeparser): New variable.
Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
---
gnu/packages/chemistry.scm | 20 ++++++++++++++++++++
1 file changed, 20 insertions(+)
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm
index 1f76be9500..8ccf2ccf4b 100644
--- a/gnu/packages/chemistry.scm
+++ b/gnu/packages/chemistry.scm
@@ -751,3 +751,23 @@ calculating @acronym{SASAs, solvent accessible surface
areas}. By default Lee
can be 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)
+ (inputs (list boost zlib))
+ (home-page "https://github.com/schrodinger/maeparser")
+ (synopsis "Maestro file parser")
+ (description "maeparser is a parser for Schrodinger Maestro files.")
+ (license license:expat)))
- 02/15: gnu: Add pocketfft-cpp., (continued)
- 02/15: gnu: Add pocketfft-cpp., guix-commits, 2022/10/15
- 04/15: gnu: Add cbehave., guix-commits, 2022/10/15
- 07/15: gnu: Add sajson-for-gemmi., guix-commits, 2022/10/15
- 09/15: gnu: Add freesasa., guix-commits, 2022/10/15
- 05/15: gnu: Add tinydir., guix-commits, 2022/10/15
- 11/15: gnu: Add coordgenlibs., guix-commits, 2022/10/15
- 12/15: gnu: Add yaehmop., guix-commits, 2022/10/15
- 15/15: gnu: Add rdkit., guix-commits, 2022/10/15
- 03/15: gnu: Add sajson., guix-commits, 2022/10/15
- 08/15: gnu: Add gemmi., guix-commits, 2022/10/15
- 10/15: gnu: Add maeparser.,
guix-commits <=
- 13/15: gnu: Add avalon-toolkit., guix-commits, 2022/10/15
- 14/15: gnu: Add ringdecomposerlib., guix-commits, 2022/10/15
- 06/15: gnu: Add optionparser., guix-commits, 2022/10/15