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gnu: Remove nmoldyn.

* gnu/packages/chemistry.scm (nmoldyn): Delete variable.
This commit is contained in:
Maxim Cournoyer 2022-04-29 13:42:26 -04:00
parent dbac9f890e
commit 99d5c9b54a
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@ -306,66 +306,6 @@ staged, and output files collected using a standard interface.")
(define with-numpy-1.8 (define with-numpy-1.8
(package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8)))) (package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8))))
(define-public nmoldyn
(package
(name "nmoldyn")
(version "3.0.11")
(source
(origin
(method git-fetch)
(uri (git-reference
(url "https://github.com/khinsen/nMOLDYN3")
(commit (string-append "v" version))))
(file-name (git-file-name name version))
(sha256
(base32
"016h4bqg419p6s7bcx55q5iik91gqmk26hbnfgj2j6zl0j36w51r"))))
(build-system python-build-system)
(inputs
(list (with-numpy-1.8 python2-matplotlib) python2-scientific netcdf
gv))
(propagated-inputs
(list python2-mmtk))
(arguments
`(#:python ,python-2
#:tests? #f ; No test suite
#:phases
(modify-phases %standard-phases
(add-before 'build 'create-linux2-directory
(lambda _
(mkdir-p "nMOLDYN/linux2")))
(add-before 'build 'change-PDF-viewer
(lambda* (#:key inputs #:allow-other-keys)
(substitute* "nMOLDYN/Preferences.py"
;; Set the paths for external executables, substituting
;; gv for acroread.
;; There is also vmd_path, but VMD is not free software
;; and Guix contains currently no free molecular viewer that
;; could be substituted.
(("PREFERENCES\\['acroread_path'\\] = ''")
(format #f "PREFERENCES['acroread_path'] = '~a'"
(which "gv")))
(("PREFERENCES\\['ncdump_path'\\] = ''")
(format #f "PREFERENCES['ncdump_path'] = '~a'"
(which "ncdump")))
(("PREFERENCES\\['ncgen_path'\\] = ''")
(format #f "PREFERENCES['ncgen_path'] = '~a'"
(which "ncgen3")))
(("PREFERENCES\\['task_manager_path'\\] = ''")
(format #f "PREFERENCES['task_manager_path'] = '~a'"
(which "task_manager")))
;; Show documentation as PDF
(("PREFERENCES\\['documentation_style'\\] = 'html'")
"PREFERENCES['documentation_style'] = 'pdf'") ))))))
(home-page "http://dirac.cnrs-orleans.fr/nMOLDYN.html")
(synopsis "Analysis software for Molecular Dynamics trajectories")
(description "nMOLDYN is an interactive analysis program for Molecular Dynamics
simulations. It is especially designed for the computation and decomposition of
neutron scattering spectra, but also computes other quantities. The software
is currently not actively maintained and works only with Python 2 and
NumPy < 1.9.")
(license license:cecill)))
(define-public tng (define-public tng
(package (package
(name "tng") (name "tng")