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gnu: Add maeparser.

* gnu/packages/chemistry.scm (maeparser): New variable.

Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
This commit is contained in:
David Elsing
2022-10-13 21:04:19 +00:00
committed by Liliana Marie Prikler
parent 06358ee715
commit f170715398

View File

@@ -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)))