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| author | David Elsing <david.elsing@posteo.net> | 2022-10-13 21:04:19 +0000 |
|---|---|---|
| committer | Liliana Marie Prikler <liliana.prikler@gmail.com> | 2022-10-15 12:05:15 +0200 |
| commit | f1707153984f17facac2ba67befe893e29632f7c (patch) | |
| tree | 10474705acd261195cc91bf502a90ba2337be4b2 /gnu/packages/chemistry.scm | |
| parent | 06358ee7158cf1c479006aa6c7eb225632422e95 (diff) | |
gnu: Add maeparser.
* gnu/packages/chemistry.scm (maeparser): New variable.
Signed-off-by: Liliana Marie Prikler <liliana.prikler@gmail.com>
Diffstat (limited to 'gnu/packages/chemistry.scm')
| -rw-r--r-- | gnu/packages/chemistry.scm | 20 |
1 files changed, 20 insertions, 0 deletions
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))) |