From 42d6bffc2ff55406e75bf2f7096d4074c18cf382 Mon Sep 17 00:00:00 2001
From: Konrad Hinsen <konrad.hinsen@fastmail.net>
Date: Tue, 2 Jan 2018 20:04:53 +0100
Subject: gnu: Add python2-mmtk.

* gnu/packages/python.scm (python2-mmtk): New public variable.
---
 gnu/packages/python.scm | 41 +++++++++++++++++++++++++++++++++++++++++
 1 file changed, 41 insertions(+)

(limited to 'gnu/packages')

diff --git a/gnu/packages/python.scm b/gnu/packages/python.scm
index 3dde9af340..d64c9bf850 100644
--- a/gnu/packages/python.scm
+++ b/gnu/packages/python.scm
@@ -12249,3 +12249,44 @@ physical units, automatic derivatives, ...) whereas others are more
 domain-specific (e.g. netCDF and PDB support).  The library is currently
 not actively maintained and works only with Python 2 and NumPy < 1.9.")
     (license license:cecill-c)))
+
+(define-public python2-mmtk
+  (package
+    (name "python2-mmtk")
+    (version "2.7.10")
+    (source
+     (origin
+       (method url-fetch)
+       (uri (string-append "https://bitbucket.org/khinsen/"
+                           "mmtk/downloads/MMTK-" version ".tar.gz"))
+       (file-name (string-append "MMTK-" version ".tar.gz"))
+       (sha256
+        (base32
+         "1k4gsd50zja89dbzgy3aji7h4zpvbvdfrds7rxr3whqrsgcffnir"))))
+    (build-system python-build-system)
+    (native-inputs
+     `(("netcdf" ,netcdf)))
+    (propagated-inputs
+     `(("python-scientific" ,python2-scientific)
+       ("python-tkinter" ,python-2 "tk")))
+    (arguments
+     `(#:python ,python-2
+       #:tests? #f
+       #:phases
+       (modify-phases %standard-phases
+         (add-before 'build 'includes-from-scientific
+           (lambda* (#:key inputs #:allow-other-keys)
+             (mkdir-p "Include/Scientific")
+             (copy-recursively
+                     (string-append
+                      (assoc-ref inputs "python-scientific")
+                      "/include/python2.7/Scientific")
+                     "Include/Scientific"))))))
+    (home-page "http://dirac.cnrs-orleans.fr/MMTK")
+    (synopsis "Python library for molecular simulation")
+    (description "MMTK is a library for molecular simulations with an emphasis
+on biomolecules.  It provides widely used methods such as Molecular Dynamics
+and normal mode analysis, but also basic routines for implementing new methods
+for simulation and analysis.  The library is currently not actively maintained
+and works only with Python 2 and NumPy < 1.9.")
+    (license license:cecill-c)))
-- 
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