diff options
Diffstat (limited to 'gnu')
-rw-r--r-- | gnu/packages/chemistry.scm | 25 |
1 files changed, 25 insertions, 0 deletions
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 129d6c1abe..2a42f6bcc8 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -242,6 +242,31 @@ analogy is that InChI is the bar-code for chemistry and chemical structures.") "file://LICENCE" "See LICENCE in the distribution.")))) +(define-public mmtf-cpp + (package + (name "mmtf-cpp") + (version "1.0.0") + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/rcsb/mmtf-cpp") + (commit (string-append "v" version)))) + (file-name (git-file-name name version)) + (sha256 + (base32 + "17ylramda69plf5w0v5hxbl4ggkdi5s15z55cv0pljl12yvyva8l")))) + (build-system cmake-build-system) + ;; Tests require the soon-to-be-deprecated version 1 of the catch-framework. + (arguments + '(#:tests? #f)) + (home-page "https://mmtf.rcsb.org/") + (synopsis "C++ API for the Macromolecular Transmission Format") + (description "This package is a library for the +@acronym{MMTF,macromolecular transmission format}, a binary encoding of +biological structures.") + (license license:expat))) + (define with-numpy-1.8 (package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8)))) |