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| -rw-r--r-- | gnu/packages/python.scm | 41 |
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))) |