diff options
Diffstat (limited to 'gnu')
| -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))) |