From aa163424b249bb11525fccc0a87cf60aa687ac60 Mon Sep 17 00:00:00 2001 From: Ricardo Wurmus Date: Thu, 13 Apr 2017 22:56:54 +0200 Subject: [PATCH] gnu: Add imp. * gnu/packages/bioinformatics.scm (imp): New variable. --- gnu/packages/bioinformatics.scm | 48 +++++++++++++++++++++++++++++++++ 1 file changed, 48 insertions(+) diff --git a/gnu/packages/bioinformatics.scm b/gnu/packages/bioinformatics.scm index b7d39ea359..7b36d6bbdc 100644 --- a/gnu/packages/bioinformatics.scm +++ b/gnu/packages/bioinformatics.scm @@ -85,6 +85,7 @@ #:use-module (gnu packages ruby) #:use-module (gnu packages serialization) #:use-module (gnu packages statistics) + #:use-module (gnu packages swig) #:use-module (gnu packages tbb) #:use-module (gnu packages tex) #:use-module (gnu packages texinfo) @@ -9426,3 +9427,50 @@ exon-skipping scanner detection scheme.") (description "PHYLIP (the PHYLogeny Inference Package) is a package of programs for inferring phylogenies (evolutionary trees).") (license license:bsd-2))) + +(define-public imp + (package + (name "imp") + (version "2.6.2") + (source + (origin + (method url-fetch) + (uri (string-append "https://integrativemodeling.org/" + version "/download/imp-" version ".tar.gz")) + (sha256 + (base32 + "0lxqx7vh79d771svr611dkilp6sn30qrbw8zvscbrm37v38d2j6h")))) + (build-system cmake-build-system) + (arguments + `(;; FIXME: Some tests fail because they produce warnings, others fail + ;; because the PYTHONPATH does not include the modeller's directory. + #:tests? #f + ;; Do not place libraries in an architecture-specific directory. + #:configure-flags + (list "-DCMAKE_INSTALL_LIBDIR=lib"))) + (inputs + `(("boost" ,boost) + ("gsl" ,gsl) + ("swig" ,swig) + ("hdf5" ,hdf5) + ("fftw" ,fftw) + ("python" ,python-2))) + (propagated-inputs + `(("python2-numpy" ,python2-numpy) + ("python2-scipy" ,python2-scipy) + ("python2-pandas" ,python2-pandas) + ("python2-scikit-learn" ,python2-scikit-learn) + ("python2-networkx" ,python2-networkx))) + (home-page "https://integrativemodeling.org") + (synopsis "Integrative modeling platform") + (description "IMP's broad goal is to contribute to a comprehensive +structural characterization of biomolecules ranging in size and complexity +from small peptides to large macromolecular assemblies, by integrating data +from diverse biochemical and biophysical experiments. IMP provides a C++ and +Python toolbox for solving complex modeling problems, and a number of +applications for tackling some common problems in a user-friendly way.") + ;; IMP is largely available under the GNU Lesser GPL; see the file + ;; COPYING.LGPL for the full text of this license. Some IMP modules are + ;; available under the GNU GPL (see the file COPYING.GPL). + (license (list license:lgpl2.1+ + license:gpl3+))))