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authorKonrad Hinsen <konrad.hinsen@fastmail.net>2018-01-02 20:04:53 +0100
committerDanny Milosavljevic <dannym@scratchpost.org>2018-01-05 10:29:51 +0100
commit42d6bffc2ff55406e75bf2f7096d4074c18cf382 (patch)
tree4a7ef24a9b1c14430de4ae8299250b8d47d27ad2
parent007c75f56fc48b031c1383c98b6bbb3c1e3c30ad (diff)
downloadguix-42d6bffc2ff55406e75bf2f7096d4074c18cf382.tar
guix-42d6bffc2ff55406e75bf2f7096d4074c18cf382.tar.gz
gnu: Add python2-mmtk.
* gnu/packages/python.scm (python2-mmtk): New public variable.
-rw-r--r--gnu/packages/python.scm41
1 files changed, 41 insertions, 0 deletions
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)))