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-rw-r--r--gnu/packages/python-science.scm77
1 files changed, 0 insertions, 77 deletions
diff --git a/gnu/packages/python-science.scm b/gnu/packages/python-science.scm
index 798ad52e9e3..aded33595fe 100644
--- a/gnu/packages/python-science.scm
+++ b/gnu/packages/python-science.scm
@@ -6498,83 +6498,6 @@ Python style, together with a fast and comfortable execution environment.")
6498 python-setuptools 6498 python-setuptools
6499 python-wheel)))) 6499 python-wheel))))
6500 6500
6501(define-public python-brille
6502 (package
6503 (name "python-brille")
6504 (version "0.8.3")
6505 (source
6506 (origin
6507 (method git-fetch)
6508 (uri (git-reference
6509 (url "https://github.com/brille/brille")
6510 (commit (string-append "v" version))))
6511 (file-name (git-file-name name version))
6512 (sha256
6513 (base32 "1vyxa7k6yrpxizbmljrv7bnsf7dzxsfbs4id36x09jjxwh7dysjj"))))
6514 (build-system cmake-build-system)
6515 (arguments
6516 (list
6517 #:configure-flags
6518 #~(list
6519 ;; Boost.System is header-only since 1.69, but FindBoost looks for
6520 ;; libboost_system.so which doesn't exist.
6521 "-DHIGHFIVE_USE_BOOST=OFF"
6522 ;; Pretend we're doing a scikit-build build to skip Conan.
6523 "-DSKBUILD=ON"
6524 (string-append "-DSKBUILD_PROJECT_NAME=brille")
6525 (string-append "-DSKBUILD_PROJECT_VERSION=" #$version))
6526 #:imported-modules `(,@%cmake-build-system-modules
6527 ,@%pyproject-build-system-modules)
6528 #:modules '((guix build cmake-build-system)
6529 ((guix build python-build-system) #:select (site-packages))
6530 (guix build utils))
6531 #:phases
6532 (with-extensions (list (pyproject-guile-json))
6533 #~(modify-phases %standard-phases
6534 (add-after 'unpack 'create-pkg-info
6535 (lambda _
6536 ;; Create PKG-INFO so DynamicVersion.cmake finds version without git.
6537 (call-with-output-file "PKG-INFO"
6538 (lambda (port)
6539 (format port "Metadata-Version: 2.1
6540Name: brille
6541Version: ~a
6542" #$version)))))
6543 (add-before 'configure 'set-version
6544 (lambda _
6545 (setenv "SETUPTOOLS_SCM_PRETEND_VERSION" #$version)))
6546 (add-after 'install 'install-python
6547 (lambda* (#:key inputs outputs #:allow-other-keys)
6548 (let ((site-packages (site-packages inputs outputs)))
6549 (mkdir-p (string-append site-packages "/brille"))
6550 ;; Install Python source files and compiled extension module.
6551 (for-each (lambda (file)
6552 (install-file file
6553 (string-append site-packages "/brille")))
6554 (append
6555 (find-files "../source/brille" "\\.py$")
6556 (find-files "." "^_brille\\..*\\.so$"))))))))))
6557 (native-inputs
6558 (list catch2-3
6559 cmake-minimal
6560 highfive
6561 pybind11
6562 python-wrapper
6563 python-setuptools
6564 python-setuptools-scm))
6565 (inputs
6566 (list hdf5))
6567 (propagated-inputs
6568 (list python-numpy))
6569 (home-page "https://github.com/brille/brille")
6570 (synopsis "Symmetry operations and interpolation in Brillouin zones")
6571 (description
6572 "Brille is a C++ library for symmetry operations and linear interpolation
6573within an irreducible part of the first Brillouin zone. It provides Python
6574bindings via pybind11 for use in phonon calculations and inelastic neutron
6575scattering simulations.")
6576 (license license:agpl3+)))
6577
6578(define-public python-spglib 6501(define-public python-spglib
6579 (package 6502 (package
6580 (name "python-spglib") 6503 (name "python-spglib")