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Add guix.scm for installation from source
In the MMTK directory, do one of - guix build -f guix.scm - guix package -i -f guix.scm
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(use-modules (guix) | ||
(guix build-system python) | ||
((guix licenses) #:prefix license:) | ||
(guix git-download) | ||
(gnu packages python) | ||
(gnu packages python-xyz) | ||
(gnu packages maths)) | ||
|
||
(package | ||
(name "python2-mmtk") | ||
(version "2.7.12") | ||
(source (local-file (dirname (current-filename)) | ||
#:recursive? #t)) | ||
(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)) |