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gnu: packages/python-science: Sort packages.
*gnu/packages/python-science.scm (python-ase, python-geosketch, python-histoprint, python-meshzoo, python-ndindex, python-scipy, python-traittypes, python-upsetplot): Sort variables alphabetically. Change-Id: I1fc194b17e3babf084c961bf09596d27e834fd6a
This commit is contained in:
Sharlatan Hellseher
parent
f1c56803ea
commit
4f2c0a5638
1 changed files with 286 additions and 286 deletions
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@ -297,6 +297,36 @@ specification and test suite in Python.")
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supersedes the RTED algorithm for computing the tree edit distance.")
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(license license:expat))))
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(define-public python-ase
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(package
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(name "python-ase")
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(version "3.25.0")
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(source
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(origin
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(method url-fetch)
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(uri (pypi-uri "ase" version))
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(sha256
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(base32 "1hk2r5042cs9shqv49w0jvf65wkyq74s6vc5drfz1275kz5ghk1p"))))
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(build-system pyproject-build-system)
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(arguments
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(list #:test-flags
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#~(list ;; DeprecationWarning.
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"--deselect"
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"ase/test/fio/test_espresso.py::test_pw_input_write_nested_flat"
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;; UserWarning.
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"--deselect"
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"ase/test/fio/test_espresso.py::TestConstraints::test_fix_scaled")))
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(propagated-inputs (list python-matplotlib python-numpy python-scipy))
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(native-inputs (list python-pytest python-pytest-xdist python-setuptools
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python-wheel))
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(inputs (list spglib))
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(home-page "https://wiki.fysik.dtu.dk/ase/")
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(synopsis "Atomic Simulation Environment")
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(description "This package provides a set of tools and Python modules for
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setting up, manipulating, running, visualizing and analyzing atomistic
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simulations.")
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(license license:lgpl2.1+)))
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(define-public python-boost-histogram
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(package
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(name "python-boost-histogram")
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@ -560,6 +590,29 @@ that is 20-25x faster than @code{numpy.histogram2d}.")
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formulas for Python.")
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(license license:expat)))
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(define-public python-geosketch
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(package
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(name "python-geosketch")
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(version "1.2")
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(source (origin
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(method url-fetch)
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(uri (pypi-uri "geosketch" version))
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(sha256
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(base32
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"0knch5h0p8xpm8bi3b5mxyaf1ywwimrsdmbnc1xr5icidcv9gzmv"))))
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(build-system python-build-system)
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(arguments '(#:tests? #false)) ;there are none
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(propagated-inputs (list python-fbpca python-numpy python-scikit-learn))
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(home-page "https://github.com/brianhie/geosketch")
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(synopsis "Geometry-preserving random sampling")
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(description "geosketch is a Python package that implements the geometric
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sketching algorithm described by Brian Hie, Hyunghoon Cho, Benjamin DeMeo,
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Bryan Bryson, and Bonnie Berger in \"Geometric sketching compactly summarizes
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the single-cell transcriptomic landscape\", Cell Systems (2019). This package
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provides an example implementation of the algorithm as well as scripts
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necessary for reproducing the experiments in the paper.")
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(license license:expat)))
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(define-public python-hepunits
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(package
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(name "python-hepunits")
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@ -579,6 +632,30 @@ constants in the HEP System of Units, as derived from the basic units
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originally defined by the CLHEP project.")
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(license license:bsd-3)))
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(define-public python-histoprint
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(package
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(name "python-histoprint")
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(version "2.6.0")
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(source
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(origin
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(method url-fetch)
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(uri (pypi-uri "histoprint" version))
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(sha256
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(base32 "07d2lk64gwhjvw4wccvwks3j4ig7g99q627jjxz4ans5a29p5pz1"))))
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(build-system pyproject-build-system)
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(propagated-inputs (list python-click python-numpy python-uhi))
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(native-inputs (list python-awkward
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python-boost-histogram
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python-hatch-vcs
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python-hatchling
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python-pytest
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python-rich))
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(home-page "https://github.com/scikit-hep/histoprint")
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(synopsis "Pretty print histograms to the console")
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(description "Histoprint uses a mix of terminal color codes and Unicode
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trickery (i.e. combining characters) to plot overlaying histograms.")
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(license license:expat)))
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(define-public python-imagehash
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(package
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(name "python-imagehash")
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@ -625,6 +702,31 @@ Features:
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@end itemize")
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(license license:bsd-2)))
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(define-public python-meshzoo
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(package
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(name "python-meshzoo")
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(version "0.9.4")
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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/diego-hayashi/meshzoo")
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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 "107byfppbq16fqyp2hw7ydcvvahspzq0hzvlvzqg2zxi1aigbr68"))))
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(build-system pyproject-build-system)
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(propagated-inputs
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(list python-numpy))
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(native-inputs (list python-flit-core python-matplotlib python-pytest))
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(home-page "https://github.com/diego-hayashi/meshzoo")
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(synopsis "Mesh generator for simple geometries")
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(description
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"@code{meshzoo} is a mesh generator for finite element or finite
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volume computations for simple domains like regular polygons, disks,
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spheres, cubes, etc.")
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(license license:gpl3+)))
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(define-public python-mpl-scatter-density
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(package
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(name "python-mpl-scatter-density")
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@ -658,6 +760,30 @@ Features:
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density maps, both for interactive and non-interactive use.")
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(license license:bsd-2)))
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(define-public python-ndindex
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(package
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(name "python-ndindex")
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(version "1.7") ;newer versions require a newer numpy
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(source
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(origin
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(method url-fetch)
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(uri (pypi-uri "ndindex" version))
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(sha256
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(base32 "1lpgsagmgxzsas7g8yiv6wmyss8q57w92h70fn11rnpadsvx16xz"))))
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(build-system pyproject-build-system)
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(arguments (list #:test-flags #~(list "-c" "/dev/null"))) ;avoid coverage
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(native-inputs
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(list python-cython
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python-numpy
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python-pytest
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python-setuptools
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python-wheel))
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(home-page "https://quansight-labs.github.io/ndindex/")
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(synopsis "Python library for manipulating indices of ndarrays")
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(description "This package provides a Python library for manipulating
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indices of @code{ndarrays}.")
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(license license:expat)))
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(define-public python-numdifftools
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(package
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(name "python-numdifftools")
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@ -913,102 +1039,6 @@ or as a TikZ file for use in LaTeX documents;
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factorization routine for quasi-definite linear system.")
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(license license:asl2.0)))
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(define-public python-scipy
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(package
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(name "python-scipy")
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(version "1.12.0")
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(source
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(origin
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(method url-fetch)
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(uri (pypi-uri "scipy" version))
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(sha256
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(base32 "18rn15wg3lp58z204fbjjhy0h79c53yg3c4qqs9h3liniamspxab"))))
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(build-system pyproject-build-system)
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(arguments
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(list
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#:phases
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#~(modify-phases %standard-phases
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(replace 'check
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(lambda* (#:key tests? #:allow-other-keys)
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(when tests?
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;; Step out of the source directory to avoid interference.
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(with-directory-excursion "/tmp"
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(invoke "python" "-c"
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(string-append
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"import scipy; scipy.test('fast', parallel="
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(number->string (parallel-job-count))
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", verbose=2)"))))))
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(add-after 'check 'install-doc
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(lambda* (#:key outputs #:allow-other-keys)
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;; FIXME: Documentation cannot be built because it requires
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;; a newer version of pydata-sphinx-theme, which currently
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;; cannot build without internet access:
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;; <https://github.com/pydata/pydata-sphinx-theme/issues/628>.
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;; Keep the phase for easy testing.
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(let ((sphinx-build (false-if-exception
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(search-input-file input "bin/sphinx-build"))))
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(if sphinx-build
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(let* ((doc (assoc-ref outputs "doc"))
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(data (string-append doc "/share"))
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(docdir (string-append
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data "/doc/"
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#$(package-name this-package) "-"
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#$(package-version this-package)))
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(html (string-append docdir "/html")))
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(with-directory-excursion "doc"
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;; Build doc.
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(invoke "make" "html"
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;; Building the documentation takes a very long time.
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;; Parallelize it.
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(string-append "SPHINXOPTS=-j"
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(number->string (parallel-job-count))))
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;; Install doc.
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(mkdir-p html)
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(copy-recursively "build/html" html)))
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(format #t "sphinx-build not found, skipping~%"))))))))
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(propagated-inputs
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(append
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(if (supported-package? python-jupytext) ; Depends on pandoc.
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(list python-jupytext)
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'())
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(list python-matplotlib
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python-mpmath
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python-mypy
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python-numpy
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python-numpydoc
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python-pydata-sphinx-theme
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python-pydevtool
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python-pythran
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python-rich-click
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python-sphinx
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python-threadpoolctl
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python-typing-extensions)))
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(inputs (list openblas pybind11-2.10))
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(native-inputs
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(list gfortran
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;; XXX: Adding gfortran shadows GCC headers, causing a compilation
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;; failure. Somehow also providing GCC works around it ...
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gcc
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meson-python
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pkg-config
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python-click
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python-cython-0.29.35
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python-doit
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python-hypothesis
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python-pooch
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python-pycodestyle
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python-pydevtool
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python-pytest
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python-pytest-cov
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python-pytest-timeout
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python-pytest-xdist))
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(home-page "https://scipy.org/")
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(synopsis "The Scipy library provides efficient numerical routines")
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(description "The SciPy library is one of the core packages that make up
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the SciPy stack. It provides many user-friendly and efficient numerical
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routines such as routines for numerical integration and optimization.")
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(license license:bsd-3)))
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(define-public python-scikit-allel
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(package
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(name "python-scikit-allel")
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@ -1440,6 +1470,102 @@ utilizing the power of scikit-learn, e.g., for pre-processing or doing
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cross-validation.")
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(license license:gpl3+))))
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(define-public python-scipy
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(package
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(name "python-scipy")
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(version "1.12.0")
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(source
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(origin
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(method url-fetch)
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(uri (pypi-uri "scipy" version))
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(sha256
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(base32 "18rn15wg3lp58z204fbjjhy0h79c53yg3c4qqs9h3liniamspxab"))))
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(build-system pyproject-build-system)
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(arguments
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(list
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#:phases
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#~(modify-phases %standard-phases
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(replace 'check
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(lambda* (#:key tests? #:allow-other-keys)
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(when tests?
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;; Step out of the source directory to avoid interference.
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(with-directory-excursion "/tmp"
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(invoke "python" "-c"
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(string-append
|
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"import scipy; scipy.test('fast', parallel="
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(number->string (parallel-job-count))
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", verbose=2)"))))))
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(add-after 'check 'install-doc
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(lambda* (#:key outputs #:allow-other-keys)
|
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;; FIXME: Documentation cannot be built because it requires
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;; a newer version of pydata-sphinx-theme, which currently
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;; cannot build without internet access:
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;; <https://github.com/pydata/pydata-sphinx-theme/issues/628>.
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;; Keep the phase for easy testing.
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(let ((sphinx-build (false-if-exception
|
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(search-input-file input "bin/sphinx-build"))))
|
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(if sphinx-build
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(let* ((doc (assoc-ref outputs "doc"))
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(data (string-append doc "/share"))
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(docdir (string-append
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data "/doc/"
|
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#$(package-name this-package) "-"
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#$(package-version this-package)))
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(html (string-append docdir "/html")))
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(with-directory-excursion "doc"
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;; Build doc.
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(invoke "make" "html"
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;; Building the documentation takes a very long time.
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;; Parallelize it.
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(string-append "SPHINXOPTS=-j"
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(number->string (parallel-job-count))))
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;; Install doc.
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(mkdir-p html)
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(copy-recursively "build/html" html)))
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(format #t "sphinx-build not found, skipping~%"))))))))
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(propagated-inputs
|
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(append
|
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(if (supported-package? python-jupytext) ; Depends on pandoc.
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(list python-jupytext)
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'())
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(list python-matplotlib
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python-mpmath
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python-mypy
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python-numpy
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python-numpydoc
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python-pydata-sphinx-theme
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python-pydevtool
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python-pythran
|
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python-rich-click
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python-sphinx
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python-threadpoolctl
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python-typing-extensions)))
|
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(inputs (list openblas pybind11-2.10))
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(native-inputs
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(list gfortran
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;; XXX: Adding gfortran shadows GCC headers, causing a compilation
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;; failure. Somehow also providing GCC works around it ...
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gcc
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meson-python
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pkg-config
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python-click
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python-cython-0.29.35
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python-doit
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python-hypothesis
|
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python-pooch
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python-pycodestyle
|
||||
python-pydevtool
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python-pytest
|
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python-pytest-cov
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python-pytest-timeout
|
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python-pytest-xdist))
|
||||
(home-page "https://scipy.org/")
|
||||
(synopsis "The Scipy library provides efficient numerical routines")
|
||||
(description "The SciPy library is one of the core packages that make up
|
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the SciPy stack. It provides many user-friendly and efficient numerical
|
||||
routines such as routines for numerical integration and optimization.")
|
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(license license:bsd-3)))
|
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|
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(define-public python-snakemake-interface-common
|
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(package
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(name "python-snakemake-interface-common")
|
||||
|
|
@ -1633,30 +1759,6 @@ not usually a runtime dependency, but only a type checking, testing, and/or
|
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docs dependency in support of other libraries.")
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(license license:bsd-3)))
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|
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(define-public python-histoprint
|
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(package
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(name "python-histoprint")
|
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(version "2.6.0")
|
||||
(source
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(origin
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(method url-fetch)
|
||||
(uri (pypi-uri "histoprint" version))
|
||||
(sha256
|
||||
(base32 "07d2lk64gwhjvw4wccvwks3j4ig7g99q627jjxz4ans5a29p5pz1"))))
|
||||
(build-system pyproject-build-system)
|
||||
(propagated-inputs (list python-click python-numpy python-uhi))
|
||||
(native-inputs (list python-awkward
|
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python-boost-histogram
|
||||
python-hatch-vcs
|
||||
python-hatchling
|
||||
python-pytest
|
||||
python-rich))
|
||||
(home-page "https://github.com/scikit-hep/histoprint")
|
||||
(synopsis "Pretty print histograms to the console")
|
||||
(description "Histoprint uses a mix of terminal color codes and Unicode
|
||||
trickery (i.e. combining characters) to plot overlaying histograms.")
|
||||
(license license:expat)))
|
||||
|
||||
(define-public python-hist
|
||||
(package
|
||||
(name "python-hist")
|
||||
|
|
@ -1785,6 +1887,45 @@ geometric calculations on arrays of vectors, rather than one vector at a time
|
|||
in a Python @code{for} loop.")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-traittypes
|
||||
(package
|
||||
(name "python-traittypes")
|
||||
(version "0.2.1")
|
||||
(source
|
||||
(origin
|
||||
(method url-fetch)
|
||||
(uri (pypi-uri "traittypes" version))
|
||||
(sha256
|
||||
(base32 "1mlv93irdrgxrhnhq3ksi9585d55bpi4mv9dha4p8gkkjiia4vxy"))))
|
||||
(build-system pyproject-build-system)
|
||||
(arguments
|
||||
(list
|
||||
;; This one test fails because it doesn't raise an expected exception.
|
||||
#:test-flags '(list "-k" "not test_bad_values")
|
||||
#:phases
|
||||
'(modify-phases %standard-phases
|
||||
(add-after 'unpack 'numpy-compatibility
|
||||
(lambda _
|
||||
(substitute* "traittypes/tests/test_traittypes.py"
|
||||
(("np\\.int") "int")))))))
|
||||
(propagated-inputs (list python-traitlets))
|
||||
(native-inputs
|
||||
(list python-numpy
|
||||
python-pandas
|
||||
python-nose
|
||||
python-pytest
|
||||
python-setuptools
|
||||
python-xarray
|
||||
python-wheel))
|
||||
(home-page "https://github.com/jupyter-widgets/traittypes")
|
||||
(synopsis "Trait types for NumPy, SciPy and friends")
|
||||
(description "The goal of this package is to provide a reference
|
||||
implementation of trait types for common data structures used in the scipy
|
||||
stack such as numpy arrays or pandas and xarray data structures. These are
|
||||
out of the scope of the main traitlets project but are a common requirement to
|
||||
build applications with traitlets in combination with the scipy stack.")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-trimesh
|
||||
(package
|
||||
(name "python-trimesh")
|
||||
|
|
@ -1872,31 +2013,6 @@ manipulation and analysis, in the style of the Polygon object in the Shapely
|
|||
library.")
|
||||
(license license:expat)))
|
||||
|
||||
(define-public python-meshzoo
|
||||
(package
|
||||
(name "python-meshzoo")
|
||||
(version "0.9.4")
|
||||
(source
|
||||
(origin
|
||||
(method git-fetch)
|
||||
(uri (git-reference
|
||||
(url "https://github.com/diego-hayashi/meshzoo")
|
||||
(commit (string-append "v" version))))
|
||||
(file-name (git-file-name name version))
|
||||
(sha256
|
||||
(base32 "107byfppbq16fqyp2hw7ydcvvahspzq0hzvlvzqg2zxi1aigbr68"))))
|
||||
(build-system pyproject-build-system)
|
||||
(propagated-inputs
|
||||
(list python-numpy))
|
||||
(native-inputs (list python-flit-core python-matplotlib python-pytest))
|
||||
(home-page "https://github.com/diego-hayashi/meshzoo")
|
||||
(synopsis "Mesh generator for simple geometries")
|
||||
(description
|
||||
"@code{meshzoo} is a mesh generator for finite element or finite
|
||||
volume computations for simple domains like regular polygons, disks,
|
||||
spheres, cubes, etc.")
|
||||
(license license:gpl3+)))
|
||||
|
||||
(define-public python-mpsplines
|
||||
;; No release on PyPI no git tag, use the latest commit.
|
||||
(let ((commit "4967655fca8f4d0fc0685486c8ec2f1fe2f199d2")
|
||||
|
|
@ -2078,30 +2194,6 @@ support for DICOM.")
|
|||
tissue-specificity metrics for gene expression.")
|
||||
(license license:gpl3+)))
|
||||
|
||||
(define-public python-ndindex
|
||||
(package
|
||||
(name "python-ndindex")
|
||||
(version "1.7") ;newer versions require a newer numpy
|
||||
(source
|
||||
(origin
|
||||
(method url-fetch)
|
||||
(uri (pypi-uri "ndindex" version))
|
||||
(sha256
|
||||
(base32 "1lpgsagmgxzsas7g8yiv6wmyss8q57w92h70fn11rnpadsvx16xz"))))
|
||||
(build-system pyproject-build-system)
|
||||
(arguments (list #:test-flags #~(list "-c" "/dev/null"))) ;avoid coverage
|
||||
(native-inputs
|
||||
(list python-cython
|
||||
python-numpy
|
||||
python-pytest
|
||||
python-setuptools
|
||||
python-wheel))
|
||||
(home-page "https://quansight-labs.github.io/ndindex/")
|
||||
(synopsis "Python library for manipulating indices of ndarrays")
|
||||
(description "This package provides a Python library for manipulating
|
||||
indices of @code{ndarrays}.")
|
||||
(license license:expat)))
|
||||
|
||||
(define-public python-pandas-1
|
||||
(package
|
||||
(name "python-pandas")
|
||||
|
|
@ -2889,29 +2981,6 @@ standard software: R and Python.")
|
|||
analysis} (PCA), SVD, and eigendecompositions via randomized methods")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-geosketch
|
||||
(package
|
||||
(name "python-geosketch")
|
||||
(version "1.2")
|
||||
(source (origin
|
||||
(method url-fetch)
|
||||
(uri (pypi-uri "geosketch" version))
|
||||
(sha256
|
||||
(base32
|
||||
"0knch5h0p8xpm8bi3b5mxyaf1ywwimrsdmbnc1xr5icidcv9gzmv"))))
|
||||
(build-system python-build-system)
|
||||
(arguments '(#:tests? #false)) ;there are none
|
||||
(propagated-inputs (list python-fbpca python-numpy python-scikit-learn))
|
||||
(home-page "https://github.com/brianhie/geosketch")
|
||||
(synopsis "Geometry-preserving random sampling")
|
||||
(description "geosketch is a Python package that implements the geometric
|
||||
sketching algorithm described by Brian Hie, Hyunghoon Cho, Benjamin DeMeo,
|
||||
Bryan Bryson, and Bonnie Berger in \"Geometric sketching compactly summarizes
|
||||
the single-cell transcriptomic landscape\", Cell Systems (2019). This package
|
||||
provides an example implementation of the algorithm as well as scripts
|
||||
necessary for reproducing the experiments in the paper.")
|
||||
(license license:expat)))
|
||||
|
||||
(define-public python-einops
|
||||
(package
|
||||
(name "python-einops")
|
||||
|
|
@ -2953,6 +3022,31 @@ necessary for reproducing the experiments in the paper.")
|
|||
learning frameworks.")
|
||||
(license license:expat)))
|
||||
|
||||
(define-public python-upsetplot
|
||||
(package
|
||||
(name "python-upsetplot")
|
||||
(version "0.9.0")
|
||||
(source
|
||||
(origin
|
||||
(method url-fetch)
|
||||
(uri (pypi-uri "UpSetPlot" version))
|
||||
(sha256
|
||||
(base32
|
||||
"14l5gcj88cclkj1mf74bcy1pxq1hgsiy27fa3vxrsk32ik1nmdwm"))))
|
||||
(build-system pyproject-build-system)
|
||||
(propagated-inputs
|
||||
(list python-matplotlib python-pandas))
|
||||
(native-inputs
|
||||
(list python-pytest-runner python-pytest-cov
|
||||
python-setuptools python-wheel))
|
||||
(home-page "https://upsetplot.readthedocs.io")
|
||||
(synopsis "Draw UpSet plots with Pandas and Matplotlib")
|
||||
(description
|
||||
"This is a Python implementation of UpSet plots by Lex et al.
|
||||
UpSet plots are used to visualize set overlaps; like Venn diagrams but more
|
||||
readable.")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-xarray
|
||||
(package
|
||||
(name "python-xarray")
|
||||
|
|
@ -3333,31 +3427,6 @@ units. It defines the @code{unyt.array.unyt_array} and
|
|||
for handling arrays and scalars with units,respectively")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-upsetplot
|
||||
(package
|
||||
(name "python-upsetplot")
|
||||
(version "0.9.0")
|
||||
(source
|
||||
(origin
|
||||
(method url-fetch)
|
||||
(uri (pypi-uri "UpSetPlot" version))
|
||||
(sha256
|
||||
(base32
|
||||
"14l5gcj88cclkj1mf74bcy1pxq1hgsiy27fa3vxrsk32ik1nmdwm"))))
|
||||
(build-system pyproject-build-system)
|
||||
(propagated-inputs
|
||||
(list python-matplotlib python-pandas))
|
||||
(native-inputs
|
||||
(list python-pytest-runner python-pytest-cov
|
||||
python-setuptools python-wheel))
|
||||
(home-page "https://upsetplot.readthedocs.io")
|
||||
(synopsis "Draw UpSet plots with Pandas and Matplotlib")
|
||||
(description
|
||||
"This is a Python implementation of UpSet plots by Lex et al.
|
||||
UpSet plots are used to visualize set overlaps; like Venn diagrams but more
|
||||
readable.")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-vedo
|
||||
(package
|
||||
(name "python-vedo")
|
||||
|
|
@ -4177,45 +4246,6 @@ visual integration of spatially referenced datasets.")
|
|||
to do spectral analysis in Python.")
|
||||
(license license:expat)))
|
||||
|
||||
(define-public python-traittypes
|
||||
(package
|
||||
(name "python-traittypes")
|
||||
(version "0.2.1")
|
||||
(source
|
||||
(origin
|
||||
(method url-fetch)
|
||||
(uri (pypi-uri "traittypes" version))
|
||||
(sha256
|
||||
(base32 "1mlv93irdrgxrhnhq3ksi9585d55bpi4mv9dha4p8gkkjiia4vxy"))))
|
||||
(build-system pyproject-build-system)
|
||||
(arguments
|
||||
(list
|
||||
;; This one test fails because it doesn't raise an expected exception.
|
||||
#:test-flags '(list "-k" "not test_bad_values")
|
||||
#:phases
|
||||
'(modify-phases %standard-phases
|
||||
(add-after 'unpack 'numpy-compatibility
|
||||
(lambda _
|
||||
(substitute* "traittypes/tests/test_traittypes.py"
|
||||
(("np\\.int") "int")))))))
|
||||
(propagated-inputs (list python-traitlets))
|
||||
(native-inputs
|
||||
(list python-numpy
|
||||
python-pandas
|
||||
python-nose
|
||||
python-pytest
|
||||
python-setuptools
|
||||
python-xarray
|
||||
python-wheel))
|
||||
(home-page "https://github.com/jupyter-widgets/traittypes")
|
||||
(synopsis "Trait types for NumPy, SciPy and friends")
|
||||
(description "The goal of this package is to provide a reference
|
||||
implementation of trait types for common data structures used in the scipy
|
||||
stack such as numpy arrays or pandas and xarray data structures. These are
|
||||
out of the scope of the main traitlets project but are a common requirement to
|
||||
build applications with traitlets in combination with the scipy stack.")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-clarabel
|
||||
(package
|
||||
(name "python-clarabel")
|
||||
|
|
@ -4894,36 +4924,6 @@ applications.")
|
|||
neuronal models")
|
||||
(license license:bsd-3)))
|
||||
|
||||
(define-public python-ase
|
||||
(package
|
||||
(name "python-ase")
|
||||
(version "3.25.0")
|
||||
(source
|
||||
(origin
|
||||
(method url-fetch)
|
||||
(uri (pypi-uri "ase" version))
|
||||
(sha256
|
||||
(base32 "1hk2r5042cs9shqv49w0jvf65wkyq74s6vc5drfz1275kz5ghk1p"))))
|
||||
(build-system pyproject-build-system)
|
||||
(arguments
|
||||
(list #:test-flags
|
||||
#~(list ;; DeprecationWarning.
|
||||
"--deselect"
|
||||
"ase/test/fio/test_espresso.py::test_pw_input_write_nested_flat"
|
||||
;; UserWarning.
|
||||
"--deselect"
|
||||
"ase/test/fio/test_espresso.py::TestConstraints::test_fix_scaled")))
|
||||
(propagated-inputs (list python-matplotlib python-numpy python-scipy))
|
||||
(native-inputs (list python-pytest python-pytest-xdist python-setuptools
|
||||
python-wheel))
|
||||
(inputs (list spglib))
|
||||
(home-page "https://wiki.fysik.dtu.dk/ase/")
|
||||
(synopsis "Atomic Simulation Environment")
|
||||
(description "This package provides a set of tools and Python modules for
|
||||
setting up, manipulating, running, visualizing and analyzing atomistic
|
||||
simulations.")
|
||||
(license license:lgpl2.1+)))
|
||||
|
||||
(define-public python-asap3
|
||||
(package
|
||||
(name "python-asap3")
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue