gnu: Remove nmoldyn.
* gnu/packages/chemistry.scm (nmoldyn): Delete variable.
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@ -306,66 +306,6 @@ staged, and output files collected using a standard interface.")
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(define with-numpy-1.8
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(define with-numpy-1.8
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(package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8))))
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(package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8))))
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(define-public nmoldyn
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(package
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(name "nmoldyn")
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(version "3.0.11")
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(source
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(origin
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(method git-fetch)
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(uri (git-reference
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(url "https://github.com/khinsen/nMOLDYN3")
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(commit (string-append "v" version))))
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(file-name (git-file-name name version))
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(sha256
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(base32
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"016h4bqg419p6s7bcx55q5iik91gqmk26hbnfgj2j6zl0j36w51r"))))
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(build-system python-build-system)
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(inputs
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(list (with-numpy-1.8 python2-matplotlib) python2-scientific netcdf
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gv))
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(propagated-inputs
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(list python2-mmtk))
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(arguments
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`(#:python ,python-2
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#:tests? #f ; No test suite
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#:phases
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(modify-phases %standard-phases
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(add-before 'build 'create-linux2-directory
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(lambda _
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(mkdir-p "nMOLDYN/linux2")))
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(add-before 'build 'change-PDF-viewer
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(lambda* (#:key inputs #:allow-other-keys)
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(substitute* "nMOLDYN/Preferences.py"
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;; Set the paths for external executables, substituting
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;; gv for acroread.
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;; There is also vmd_path, but VMD is not free software
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;; and Guix contains currently no free molecular viewer that
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;; could be substituted.
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(("PREFERENCES\\['acroread_path'\\] = ''")
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(format #f "PREFERENCES['acroread_path'] = '~a'"
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(which "gv")))
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(("PREFERENCES\\['ncdump_path'\\] = ''")
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(format #f "PREFERENCES['ncdump_path'] = '~a'"
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(which "ncdump")))
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(("PREFERENCES\\['ncgen_path'\\] = ''")
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(format #f "PREFERENCES['ncgen_path'] = '~a'"
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(which "ncgen3")))
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(("PREFERENCES\\['task_manager_path'\\] = ''")
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(format #f "PREFERENCES['task_manager_path'] = '~a'"
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(which "task_manager")))
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;; Show documentation as PDF
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(("PREFERENCES\\['documentation_style'\\] = 'html'")
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"PREFERENCES['documentation_style'] = 'pdf'") ))))))
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(home-page "http://dirac.cnrs-orleans.fr/nMOLDYN.html")
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(synopsis "Analysis software for Molecular Dynamics trajectories")
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(description "nMOLDYN is an interactive analysis program for Molecular Dynamics
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simulations. It is especially designed for the computation and decomposition of
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neutron scattering spectra, but also computes other quantities. The software
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is currently not actively maintained and works only with Python 2 and
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NumPy < 1.9.")
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(license license:cecill)))
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(define-public tng
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(define-public tng
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(package
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(package
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(name "tng")
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(name "tng")
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