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gnu: Add maeparser.

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

Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
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David Elsing 2022-10-13 21:04:19 +00:00 • committed by Liliana Marie Prikler
parent 06358ee715
commit f170715398
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gnu/packages/chemistry.scm
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@ -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 can be parameterized to arbitrary precision, and for high resolution versions
of the algorithms, the calculations give identical results.") of the algorithms, the calculations give identical results.")
(license license:expat))) (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)))