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| 21 | |
| 22 |
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| 23 | (define-module (gnu packages physics)
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| 24 | #:use-module ((guix licenses) #:prefix license:)
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| 25 | #:use-module (guix build-system cmake)
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| 26 | #:use-module (guix build-system copy)
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| 27 | #:use-module (guix build-system meson)
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| 28 | #:use-module (guix build-system pyproject)
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| 29 | #:use-module (guix build-system qt)
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| 30 | #:use-module (guix download)
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| 31 | #:use-module (guix gexp)
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| 32 | #:use-module (guix git-download)
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| 33 | #:use-module (guix packages)
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| 34 | #:use-module (guix utils)
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| 35 | #:use-module (gnu packages)
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| 36 | #:use-module (gnu packages algebra)
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| 37 | #:use-module (gnu packages boost)
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| 38 | #:use-module (gnu packages build-tools)
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| 39 | #:use-module (gnu packages check)
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| 40 | #:use-module (gnu packages cmake)
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| 41 | #:use-module (gnu packages compression)
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| 42 | #:use-module (gnu packages cpp)
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| 43 | #:use-module (gnu packages documentation)
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| 44 | #:use-module (gnu packages gcc)
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| 45 | #:use-module (gnu packages gl)
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| 46 | #:use-module (gnu packages graphviz)
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| 47 | #:use-module (gnu packages haskell-xyz)
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| 48 | #:use-module (gnu packages image)
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| 49 | #:use-module (gnu packages image-processing)
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| 50 | #:use-module (gnu packages jemalloc)
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| 51 | #:use-module (gnu packages jupyter)
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| 52 | #:use-module (gnu packages llvm)
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| 53 | #:use-module (gnu packages machine-learning)
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| 54 | #:use-module (gnu packages maths)
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| 55 | #:use-module (gnu packages mpi)
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| 56 | #:use-module (gnu packages networking)
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| 57 | #:use-module (gnu packages noweb)
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| 58 | #:use-module (gnu packages pkg-config)
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| 59 | #:use-module (gnu packages python)
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| 60 | #:use-module (gnu packages python-build)
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| 61 | #:use-module (gnu packages python-check)
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| 62 | #:use-module (gnu packages python-compression)
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| 63 | #:use-module (gnu packages python-crypto)
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| 64 | #:use-module (gnu packages python-graphics)
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| 65 | #:use-module (gnu packages python-science)
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| 66 | #:use-module (gnu packages sphinx)
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| 67 | #:use-module (gnu packages python-web)
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| 68 | #:use-module (gnu packages python-xyz)
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| 69 | #:use-module (gnu packages qt)
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| 70 | #:use-module (gnu packages serialization)
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| 71 | #:use-module (gnu packages tbb)
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| 72 | #:use-module (gnu packages time)
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| 73 | #:use-module (gnu packages tls)
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| 74 | #:use-module (gnu packages xml)
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| 75 | #:use-module (gnu packages xorg))
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| 76 |
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| 77 | (define-public alps
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| 78 | (package
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| 79 | (name "alps")
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| 80 | (version "2.3.3")
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| 81 | (source
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| 82 | (origin
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| 83 | (method git-fetch)
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| 84 | (uri (git-reference
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| 85 | (url "https://github.com/ALPSim/ALPS")
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| 86 | (commit (string-append "v" version))))
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| 87 | (file-name (git-file-name name version))
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| 88 | (sha256
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| 89 | (base32 "1dlmfl73dgw0ry7bcvdlr0p5fz0h62xn6c00vrpnjk60kj8cxsnr"))))
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| 90 | (build-system cmake-build-system)
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| 91 | (arguments
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| 92 | (list
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| 93 | #:parallel-tests? #f
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| 94 | #:configure-flags
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| 95 | #~(list "-DALPS_ENABLE_OPENMP=ON"
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| 96 | "-DALPS_BUILD_PYTHON=ON"
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| 97 | "-DALPS_BUILD_FORTRAN=ON")
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| 98 | #:phases
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| 99 | #~(modify-phases %standard-phases
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| 100 | |
| 101 | |
| 102 | (add-after 'set-paths 'hide-gfortran
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| 103 | (lambda _
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| 104 | (let ((gfortran #$(this-package-input "gfortran")))
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| 105 | (setenv "CPLUS_INCLUDE_PATH"
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| 106 | (string-join
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| 107 | (delete (string-append gfortran "/include/c++")
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| 108 | (string-split (getenv "CPLUS_INCLUDE_PATH") #\:))
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| 109 | ":")))))
|
| 110 | (add-after 'unpack 'rewrite-find-boost-cmake
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| 111 | (lambda _
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| 112 | (let ((boost-components '("chrono" "timer" "date_time"
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| 113 | "filesystem" "iostreams"
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| 114 | "program_options" "regex"
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| 115 | "serialization" "thread"
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| 116 | "python" "mpi" "numpy")))
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| 117 | (call-with-output-file "config/FindBoostForALPS.cmake"
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| 118 | (lambda (port)
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| 119 | (display "find_package(Boost REQUIRED COMPONENTS" port)
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| 120 | (for-each (lambda (x)
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| 121 | (format port "\n~a" x)) boost-components)
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| 122 | (display ")\n" port)
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| 123 | (display "set(ALPS_HAVE_BOOST_NUMPY ON)\n" port))))))
|
| 124 | (add-after 'rewrite-find-boost-cmake 'fix-cmake-cxx-flags
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| 125 | (lambda _
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| 126 | (substitute* "CMakeLists.txt"
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| 127 | (("^set\\(CMAKE_CXX_FLAGS .* -fpermissive.*\\)")
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| 128 | (string-append "set(CMAKE_CXX_FLAGS \""
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| 129 | "${CMAKE_CXX_FLAGS}"
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| 130 | " -fpermissive"
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| 131 | " -DBOOST_NO_AUTO_PTR"
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| 132 | " -DBOOST_FILESYSTEM_NO_CXX20_ATOMIC_REF"
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| 133 | " -DBOOST_AC_USE_PTHREADS"
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| 134 | |
| 135 | |
| 136 | |
| 137 | " -DBOOST_TIMER_ENABLE_DEPRECATED"
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| 138 | "\")")))))
|
| 139 | (add-after 'fix-cmake-cxx-flags 'reconcile-with-boost-1.89
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| 140 | (lambda _
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| 141 | (substitute*
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| 142 | '("src/alps/numeric/matrix/matrix_element_iterator.hpp"
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| 143 | "src/alps/numeric/matrix/strided_iterator.hpp")
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| 144 | (("^#include <boost/iterator/iterator_facade.hpp>" include)
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| 145 | (string-append "#include <boost/type_traits/is_same.hpp>\n"
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| 146 | "#include <boost/type_traits/add_const.hpp>\n"
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| 147 | include)))))
|
| 148 | (add-after 'reconcile-with-boost-1.89 'fix-fortran-comment
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| 149 | (lambda _
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| 150 | (substitute* "src/alps/fortran/alps_fortran.h"
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| 151 | (("^\\*") "!")))))))
|
| 152 | (native-inputs
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| 153 | (list python-scipy |
| 154 | python-numpy))
|
| 155 | (inputs
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| 156 | (list expat
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| 157 | gfortran
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| 158 | hdf5
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| 159 | python
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| 160 | openblas))
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| 161 | (propagated-inputs
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| 162 | |
| 163 | |
| 164 | (list boost-mpi-numpy
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| 165 | openmpi))
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| 166 | (home-page "https://alps.comp-phys.org/")
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| 167 | (synopsis "Algorithms and Libraries for Physics Simulations")
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| 168 | (description
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| 169 | "The ALPS (Algorithms and Libraries for Physics Simulations) package
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| 170 | provides a set of components for numerical simulations of condensed matter
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| 171 | systems, including bosonic, fermionic, and spin systems with exact
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| 172 | diagonalization, classical and quantum Monte Carlo, dynamical mean field
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| 173 | theory, and density matrix renormalization group methods. It contains both
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| 174 | ready to use applications and C++ library for simplifying the development of
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| 175 | such components.")
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| 176 | (license license:expat)))
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| 177 |
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| 178 | (define-public cif-core
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| 179 | (package
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| 180 | (name "cif-core")
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| 181 | (version "3.0.13")
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| 182 | (source
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| 183 | (origin
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| 184 | (method git-fetch)
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| 185 | (uri (git-reference
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| 186 | (url "https://github.com/COMCIFS/cif_core")
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| 187 | (commit (string-append "v" version))))
|
| 188 | (file-name (git-file-name name version))
|
| 189 | (sha256
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| 190 | (base32 "0xkb3kdsqq8lsn6601m1ymqa42vr742ly2cb4izv44awfamqkzhz"))))
|
| 191 | (build-system copy-build-system)
|
| 192 | (arguments
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| 193 | (list
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| 194 | #:install-plan
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| 195 | #~'(("." "share/cif-core" #:include-regexp ("\\.dic$" "\\.cif$")))))
|
| 196 | (home-page "https://github.com/COMCIFS/cif_core")
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| 197 | (synopsis "IUCr CIF core files")
|
| 198 | (description
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| 199 | "This package provides the
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| 200 | @url{http://www.iucr.org/resources/cif/comcifs, IUCr} (International Union of
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| 201 | Crystallography) core CIF dictionary and supplementary dictionaries which
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| 202 | COMCIFS manages. Dictionary definitions are described using DDLm attributes,
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| 203 | which are themselves described in 'ddl.dic'.")
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| 204 | (license license:cc-by4.0)))
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| 205 |
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| 206 | (define-public cytnx
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| 207 | (package
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| 208 | (name "cytnx")
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| 209 | (version "1.1.1")
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| 210 | (source
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| 211 | (origin
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| 212 | (method git-fetch)
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| 213 | (uri (git-reference
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| 214 | (url "https://github.com/Cytnx-dev/Cytnx")
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| 215 | (commit (string-append "v" version))))
|
| 216 | (file-name (git-file-name name version))
|
| 217 | (sha256
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| 218 | (base32 "1vhlnq5kq4nj8prkrkb7x5xsz1dllpjf1v0lxr682ppisx4isk1j"))))
|
| 219 | (build-system cmake-build-system)
|
| 220 | (arguments
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| 221 | (list
|
| 222 | #:configure-flags
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| 223 | #~(list "-DRUN_TESTS=ON"
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| 224 | "-DBUILD_PYTHON=ON")
|
| 225 | #:phases
|
| 226 | #~(modify-phases %standard-phases
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| 227 | (add-after 'unpack 'cmake-modules-dir
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| 228 | (lambda* (#:key inputs #:allow-other-keys)
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| 229 | (substitute* "CMakeLists.txt"
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| 230 | (("(set\\(_morse_modules_dir \")\\$.*modules\"\\)" all first)
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| 231 | (string-append first
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| 232 | (search-input-directory
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| 233 | inputs
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| 234 | "share/morse-cmake/modules") "\")")))))
|
| 235 | |
| 236 | (add-after 'install 'install-python-module
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| 237 | (lambda _
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| 238 | (let* ((py-version #$(version-major+minor
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| 239 | (package-version python)))
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| 240 | (src (string-append #$output "/cytnx"))
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| 241 | (dst (string-append #$output "/lib/python" py-version
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| 242 | "/site-packages/cytnx")))
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| 243 | (copy-recursively src dst)
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| 244 | (delete-file-recursively src)))))))
|
| 245 | (native-inputs
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| 246 | (list googletest
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| 247 | morse-cmake
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| 248 | pybind11))
|
| 249 | (inputs
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| 250 | (list arpack-ng
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| 251 | boost
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| 252 | openblas
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| 253 | python
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| 254 | libomp-13))
|
| 255 | (propagated-inputs
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| 256 | (list python-beartype
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| 257 | python-graphviz
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| 258 | python-numpy))
|
| 259 | (home-page "https://github.com/cytnx-dev/cytnx")
|
| 260 | (synopsis "Quantum physics simulations using tensor network algorithms")
|
| 261 | (description
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| 262 | "Cytnx is a tensor network library designed for quantum physics
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| 263 | simulations using tensor network algorithms, offering the following features:
|
| 264 |
|
| 265 | @itemize
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| 266 | @item Most of the APIs are identical in C++ and Python, enabling seamless
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| 267 | transitions between the two for prototyping and production.
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| 268 |
|
| 269 | @item Cytnx APIs share very similar interfaces with popular libraries such as
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| 270 | NumPy, SciPy, and PyTorch, minimizing the learning curve for new users.
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| 271 |
|
| 272 | @item Cytnx supports multi-device operations (CPUs/GPUs) directly at the base
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| 273 | container level. Both the containers and linear algebra functions share
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| 274 | consistent APIs regardless of the devices on which the input tensors are
|
| 275 | stored, similar to PyTorch.
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| 276 |
|
| 277 | @item For algorithms in physics, Cytnx provides powerful tools such as
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| 278 | UniTensor, Network, Symmetry etc. These objects are built on top of Tensor
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| 279 | objects, specifically aiming to reduce the developing work of Tensor network
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| 280 | algorithms by simplifying the user interfaces.
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| 281 | @end itemize
|
| 282 |
|
| 283 | This library is based on papaer - The Cytnx library for tensor networks;
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| 284 | Kai-Hsin Wu, Chang-Teng Lin, Ke Hsu, Hao-Ti Hung, Manuel Schneider, Chia-Min
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| 285 | Chung, Ying-Jer Kao, Pochung Chen;
|
| 286 | @url{https://doi.org/10.21468/SciPostPhysCodeb.53-r1.0}.")
|
| 287 | (license license:lgpl3+)))
|
| 288 |
|
| 289 | (define-public python-brille
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| 290 | (package
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| 291 | (name "python-brille")
|
| 292 | (version "0.8.3")
|
| 293 | (source
|
| 294 | (origin
|
| 295 | (method git-fetch)
|
| 296 | (uri (git-reference
|
| 297 | (url "https://github.com/brille/brille")
|
| 298 | (commit (string-append "v" version))))
|
| 299 | (file-name (git-file-name name version))
|
| 300 | (sha256
|
| 301 | (base32 "1vyxa7k6yrpxizbmljrv7bnsf7dzxsfbs4id36x09jjxwh7dysjj"))))
|
| 302 | (build-system cmake-build-system)
|
| 303 | (arguments
|
| 304 | (list
|
| 305 | #:configure-flags
|
| 306 | #~(list
|
| 307 | |
| 308 | |
| 309 | "-DHIGHFIVE_USE_BOOST=OFF"
|
| 310 | |
| 311 | "-DSKBUILD=ON"
|
| 312 | (string-append "-DSKBUILD_PROJECT_NAME=brille")
|
| 313 | (string-append "-DSKBUILD_PROJECT_VERSION=" #$version))
|
| 314 | #:imported-modules (append %cmake-build-system-modules
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| 315 | %pyproject-build-system-modules)
|
| 316 | #:modules '((guix build cmake-build-system)
|
| 317 | ((guix build pyproject-build-system) #:select (site-packages))
|
| 318 | (guix build utils))
|
| 319 | #:phases
|
| 320 | #~(modify-phases %standard-phases
|
| 321 | (add-after 'unpack 'create-pkg-info
|
| 322 | (lambda _
|
| 323 | |
| 324 | (call-with-output-file "PKG-INFO"
|
| 325 | (lambda (port)
|
| 326 | (format port "Metadata-Version: 2.1
|
| 327 | Name: brille
|
| 328 | Version: ~a
|
| 329 | " #$version)))))
|
| 330 | (add-after 'install 'install-python
|
| 331 | (lambda* (#:key inputs outputs #:allow-other-keys)
|
| 332 | (let ((site-packages (site-packages inputs outputs)))
|
| 333 | (mkdir-p (string-append site-packages "/brille"))
|
| 334 | |
| 335 | (for-each (lambda (file)
|
| 336 | (install-file file
|
| 337 | (string-append site-packages "/brille")))
|
| 338 | (append
|
| 339 | (find-files "../source/brille" "\\.py$")
|
| 340 | (find-files "." "^_brille\\..*\\.so$")))))))))
|
| 341 | (native-inputs
|
| 342 | (list catch2
|
| 343 | cmake-minimal
|
| 344 | highfive
|
| 345 | pybind11
|
| 346 | python-wrapper
|
| 347 | python-setuptools
|
| 348 | python-setuptools-scm))
|
| 349 | (inputs
|
| 350 | (list hdf5-parallel-openmpi))
|
| 351 | (propagated-inputs
|
| 352 | (list python-numpy))
|
| 353 | (home-page "https://github.com/brille/brille")
|
| 354 | (synopsis "Symmetry operations and interpolation in Brillouin zones")
|
| 355 | (description
|
| 356 | "Brille is a C++ library for symmetry operations and linear interpolation
|
| 357 | within an irreducible part of the first Brillouin zone. It provides Python
|
| 358 | bindings via pybind11 for use in phonon calculations and inelastic neutron
|
| 359 | scattering simulations.")
|
| 360 | (license license:agpl3+)))
|
| 361 |
|
| 362 | (define-public python-cyten
|
| 363 | |
| 364 | (let ((commit "20393da41dba0fd524f4132fb56ce14cb2cdbe00")
|
| 365 | (revision "0"))
|
| 366 | (package
|
| 367 | (name "python-cyten")
|
| 368 | (version (git-version "0.0.0" revision commit))
|
| 369 | (source
|
| 370 | (origin
|
| 371 | (method git-fetch)
|
| 372 | (uri (git-reference
|
| 373 | (url "https://github.com/tenpy/cyten")
|
| 374 | (commit commit)))
|
| 375 | (file-name (git-file-name name version))
|
| 376 | (sha256
|
| 377 | (base32 "161dpz15nc719mvcndmyhgkzb91facnxy3rs1c6gvsfksx37wx1m"))))
|
| 378 | (build-system pyproject-build-system)
|
| 379 | (arguments
|
| 380 | (list
|
| 381 | |
| 382 | #:phases
|
| 383 | #~(modify-phases %standard-phases
|
| 384 | (add-before 'check 'remove-local-source
|
| 385 | (lambda _
|
| 386 | (delete-file-recursively "cyten"))))))
|
| 387 | (native-inputs
|
| 388 | (list pybind11 |
| 389 | python-h5py
|
| 390 | python-pytest
|
| 391 | python-scikit-build-core
|
| 392 | python-sympy))
|
| 393 | (propagated-inputs
|
| 394 | (list python-numpy
|
| 395 | python-scipy
|
| 396 | python-pyyaml))
|
| 397 | (home-page "https://github.com/tenpy/cyten")
|
| 398 | (synopsis "Combination of Cytnx and TeNPy for quantum physics")
|
| 399 | (description
|
| 400 | "The name Cyten is pronounced like sci-ten, and refers to scientific
|
| 401 | tensor networks implmented in C++ with a focus on the provided Python
|
| 402 | bindings, and the python-style library in modern C++.")
|
| 403 | (license license:asl2.0))))
|
| 404 |
|
| 405 | (define-public python-gofit
|
| 406 | (package
|
| 407 | (name "python-gofit")
|
| 408 | (version "1.0.0")
|
| 409 | (source
|
| 410 | (origin
|
| 411 | (method git-fetch)
|
| 412 | (uri (git-reference
|
| 413 | (url "https://github.com/ralna/gofit")
|
| 414 | (commit (string-append "v" version))))
|
| 415 | (file-name (git-file-name name version))
|
| 416 | (sha256
|
| 417 | (base32 "0x7kk97k4v1mzgs29z9i2yidjx4hmdwhng77178l564hn29k1c2b"))))
|
| 418 | (build-system pyproject-build-system)
|
| 419 | (arguments
|
| 420 | (list
|
| 421 | #:phases
|
| 422 | #~(modify-phases %standard-phases
|
| 423 | (add-after 'unpack 'fix-requirements
|
| 424 | (lambda _
|
| 425 | |
| 426 | |
| 427 | (substitute* "setup.py"
|
| 428 | (("install_requires=")
|
| 429 | "setup_requires="))))
|
| 430 | (replace 'check
|
| 431 | (lambda* (#:key tests? #:allow-other-keys)
|
| 432 | (when tests?
|
| 433 | |
| 434 | (copy-file "tests/cubic.txt" "cubic.txt")
|
| 435 | (for-each (lambda (test)
|
| 436 | (invoke "python" test))
|
| 437 | (find-files "tests" "^test_.*\\.py$"))))))))
|
| 438 | (native-inputs (list pybind11-2 python-setuptools cmake python-pytest
|
| 439 | python-numpy))
|
| 440 | (inputs (list eigen))
|
| 441 | (home-page "https://github.com/ralna/gofit")
|
| 442 | (synopsis "GOFit: Global Optimization for Fitting problems")
|
| 443 | (description "GOFit: Global Optimization for Fitting problems.")
|
| 444 | (license license:bsd-3)))
|
| 445 |
|
| 446 | (define-public python-mslice
|
| 447 | (package
|
| 448 | (name "python-mslice")
|
| 449 | (version "2.14")
|
| 450 | (source
|
| 451 | (origin
|
| 452 | (method git-fetch)
|
| 453 | (uri (git-reference
|
| 454 | (url "https://github.com/mantidproject/mslice.git")
|
| 455 | (commit version)))
|
| 456 | (file-name (git-file-name name version))
|
| 457 | (sha256
|
| 458 | (base32 "1bbg9hyl6jxyk79hshvqvcbwbx48x6va5nyhavj5kjg6ybd0n8fd"))
|
| 459 | (patches
|
| 460 | (search-patches "python-mslice-matplotlib-3.6-compatibility.patch"))))
|
| 461 | (build-system pyproject-build-system)
|
| 462 | (arguments
|
| 463 | (list #:tests? #f |
| 464 | #:phases
|
| 465 | #~(modify-phases %standard-phases
|
| 466 | (add-after 'unpack 'fix-compatibility
|
| 467 | (lambda _
|
| 468 | |
| 469 | |
| 470 | |
| 471 | (substitute* "src/mslice/plotting/pyplot.py"
|
| 472 | (("@_docstring\\.dedent_interpd")
|
| 473 | "@_docstring.interpd"))
|
| 474 | |
| 475 | |
| 476 | (substitute* "src/mslice/widgets/ipythonconsole/ipython_widget.py"
|
| 477 | (("self\\.execute\\(\"cls\"\\)")
|
| 478 | "self.clear()"))))
|
| 479 | (delete 'sanity-check)))) |
| 480 | (propagated-inputs (list python-matplotlib python-pyqt python-qtpy
|
| 481 | python-qtawesome))
|
| 482 | (native-inputs (list python-pytest python-setuptools))
|
| 483 | (home-page "https://github.com/mantidproject/mslice")
|
| 484 | (synopsis "Performs slices and cuts of multi-dimensional data produced by Mantid")
|
| 485 | (description "This package provides a tool for performing slices and cuts
|
| 486 | of multi-dimensional data produced by Mantid.")
|
| 487 | (license license:gpl3+)))
|
| 488 |
|
| 489 | (define-public python-mvesuvio
|
| 490 | (package
|
| 491 | (name "python-mvesuvio")
|
| 492 | (version "0.1")
|
| 493 | (source
|
| 494 | (origin
|
| 495 | (method git-fetch)
|
| 496 | (uri (git-reference
|
| 497 | (url "https://github.com/mantidproject/vesuvio")
|
| 498 | (commit version)))
|
| 499 | (file-name (git-file-name name version))
|
| 500 | (sha256
|
| 501 | (base32 "1drpz41dfqlfbx9jpsgig6hv52ylxs79ghzk2a7m6109vbawksvw"))))
|
| 502 | (build-system pyproject-build-system)
|
| 503 | (arguments
|
| 504 | (list
|
| 505 | #:tests? #f |
| 506 | #:phases
|
| 507 | #~(modify-phases %standard-phases
|
| 508 | (add-after 'unpack 'fix-version
|
| 509 | (lambda _
|
| 510 | |
| 511 | |
| 512 | (mkdir-p "src/mvesuvio")
|
| 513 | (call-with-output-file "src/mvesuvio/_version.py"
|
| 514 | (lambda (port)
|
| 515 | (format port "__version__ = \"~a\"~%" #$version))))))))
|
| 516 | (native-inputs
|
| 517 | (list python-setuptools))
|
| 518 | (propagated-inputs
|
| 519 | (list python-dill
|
| 520 | python-iminuit
|
| 521 | python-jacobi))
|
| 522 | (home-page "https://github.com/mantidproject/vesuvio")
|
| 523 | (synopsis "Analysis library for VESUVIO neutron spectrometer data")
|
| 524 | (description
|
| 525 | "MVesuvio provides optimized analysis procedures for neutron scattering
|
| 526 | data from the VESUVIO spectrometer. It is a script library meant to be
|
| 527 | imported in Mantid Workbench's script editor (@code{import mvesuvio as mv}),
|
| 528 | not a GUI application.")
|
| 529 | (license license:gpl3)))
|
| 530 |
|
| 531 | (define-public python-physics-tenpy
|
| 532 | (package
|
| 533 | (name "python-physics-tenpy")
|
| 534 | (version "1.1.0")
|
| 535 | (source
|
| 536 | (origin
|
| 537 | (method git-fetch)
|
| 538 | (uri (git-reference
|
| 539 | (url "https://github.com/tenpy/tenpy")
|
| 540 | (commit (string-append "v" version))
|
| 541 | (recursive? #t)))
|
| 542 | (file-name (git-file-name name version))
|
| 543 | (sha256
|
| 544 | (base32 "0b1yky4gn2s1h0yl7l3a6mq1ji2zj0a74fyflhlapii7awmwas5q"))))
|
| 545 | (build-system pyproject-build-system)
|
| 546 | (arguments
|
| 547 | (list
|
| 548 | #:phases
|
| 549 | #~(modify-phases %standard-phases
|
| 550 | (add-after 'build 'build-docs
|
| 551 | (lambda _
|
| 552 | (invoke "make" "-C" "doc" "html")))
|
| 553 | (add-after 'install 'install-docs
|
| 554 | (lambda _
|
| 555 | (copy-recursively
|
| 556 | "doc/sphinx_build/html"
|
| 557 | (string-append #$output:doc "/share/doc/"
|
| 558 | #$name "-" #$version)))))))
|
| 559 | (native-inputs
|
| 560 | (list python-cython
|
| 561 | python-pytest
|
| 562 | python-setuptools
|
| 563 | |
| 564 | pandoc
|
| 565 | python-pybtex
|
| 566 | python-sphinx
|
| 567 | python-sphinx-rtd-theme
|
| 568 | python-sphinxcontrib-bibtex
|
| 569 | python-matplotlib
|
| 570 | python-ipykernel
|
| 571 | python-nbsphinx
|
| 572 | python-sphinx-copybutton))
|
| 573 | (propagated-inputs
|
| 574 | (list python-numpy
|
| 575 | python-scipy
|
| 576 | |
| 577 | python-matplotlib
|
| 578 | python-h5py
|
| 579 | python-pyyaml
|
| 580 | python-psutil
|
| 581 | python-bottleneck))
|
| 582 | (outputs '("out" "doc"))
|
| 583 | (home-page "https://github.com/xtenpy/tenpy")
|
| 584 | (synopsis "Simulation of quantum many-body systems with tensor networks")
|
| 585 | (description
|
| 586 | "@acronym{TeNPy, Tensor Network Python} is a Python library for the
|
| 587 | simulation of strongly correlated quantum systems with tensor networks.
|
| 588 |
|
| 589 | The philosophy of this library is to get a new balance of a good readability
|
| 590 | and usability for new-comers, and at the same time powerful algorithms and
|
| 591 | fast development of new algorithms for experts. For good readability, we
|
| 592 | include an extensive documentation next to the code, both in Python doc
|
| 593 | strings and separately as \"user guides\", as well as simple example codes and
|
| 594 | even toy codes, which just demonstrate various algorithms (like TEBD and DMRG)
|
| 595 | in ~100 lines per file.")
|
| 596 | (license license:asl2.0)))
|
| 597 |
|
| 598 | (define-public python-pycifrw
|
| 599 | (package
|
| 600 | (name "python-pycifrw")
|
| 601 | (version "5.0.1")
|
| 602 | (source
|
| 603 | (origin
|
| 604 | (method git-fetch)
|
| 605 | (uri (git-reference
|
| 606 | (url "https://github.com/jamesrhester/pycifrw")
|
| 607 | (commit (string-append "v" version))))
|
| 608 | (sha256
|
| 609 | (base32 "14qm472gzfblwph00vhv1fpyx0azfk4fba6fwzjh1z47pmapx7kg"))))
|
| 610 | (build-system pyproject-build-system)
|
| 611 | (arguments
|
| 612 | (list
|
| 613 | |
| 614 | #:test-flags
|
| 615 | #~(list
|
| 616 | |
| 617 | "--deselect=TestPyCIFRW.py::DDLmDicTestCase::testMandatory"
|
| 618 | "--deselect=TestPyCIFRW.py::DDLmDicTestCase::testProhibited"
|
| 619 | |
| 620 | |
| 621 | "--deselect=TestPyCIFRW.py::DicStructureTestCase::testCatObj2"
|
| 622 | |
| 623 | |
| 624 | "--deselect=TestDrel.py::TestWithDict::test_fancy_packets"
|
| 625 | "--deselect=TestDrel.py::TestWithDict::testCaptures"
|
| 626 | "TestPyCIFRW.py"
|
| 627 | "TestDrel.py")
|
| 628 | #:phases
|
| 629 | #~(modify-phases %standard-phases
|
| 630 | |
| 631 | (add-after 'unpack 'copy-dictionaries
|
| 632 | (lambda _
|
| 633 | (copy-recursively
|
| 634 | (string-append #$(this-package-native-input "cif-core")
|
| 635 | "/share/cif-core")
|
| 636 | "tests/dictionaries")))
|
| 637 | (add-before 'build 'generate-sources
|
| 638 | (lambda _
|
| 639 | (invoke "make" "-C" "src" "package"))))))
|
| 640 | (native-inputs
|
| 641 | (list cif-core
|
| 642 | latex2html
|
| 643 | noweb
|
| 644 | python-pytest
|
| 645 | python-setuptools))
|
| 646 | (propagated-inputs
|
| 647 | (list python-numpy
|
| 648 | python-prettytable
|
| 649 | python-ply))
|
| 650 | (home-page "https://github.com/jamesrhester/pycifrw")
|
| 651 | (synopsis "CIF file reader and writer")
|
| 652 | (description
|
| 653 | "PyCifRW provides support for reading and writing CIF (Crystallographic
|
| 654 | Information File) format files. CIF is the standard format for
|
| 655 | crystallographic data exchange endorsed by the International Union of
|
| 656 | Crystallography.")
|
| 657 | (license license:psfl)))
|
| 658 |
|
| 659 | (define-public python-pyoncat
|
| 660 | (package
|
| 661 | (name "python-pyoncat")
|
| 662 | (version "2.4")
|
| 663 | (source
|
| 664 | (origin
|
| 665 | (method url-fetch)
|
| 666 | (uri (pypi-uri "pyoncat" version))
|
| 667 | (sha256
|
| 668 | (base32 "16lkpbkn7wyx8ag42sjmqm0c5acfs5dbglf3ahnfwpvcgcxj6jql"))))
|
| 669 | (build-system pyproject-build-system)
|
| 670 | (arguments
|
| 671 | (list #:tests? #f |
| 672 | #:phases
|
| 673 | #~(modify-phases %standard-phases
|
| 674 | (add-after 'unpack 'fix-build-system
|
| 675 | (lambda _
|
| 676 | |
| 677 | |
| 678 | |
| 679 | (substitute* "pyproject.toml"
|
| 680 | (("requires = \\[\"poetry\"\\]")
|
| 681 | "requires = [\"poetry-core\"]")
|
| 682 | (("build-backend = \"poetry\\.masonry\\.api\"")
|
| 683 | "build-backend = \"poetry.core.masonry.api\"")))))))
|
| 684 | (native-inputs
|
| 685 | (list python-poetry-core))
|
| 686 | (propagated-inputs
|
| 687 | (list python-oauthlib
|
| 688 | python-requests
|
| 689 | python-requests-oauthlib))
|
| 690 | (home-page "https://oncat.ornl.gov")
|
| 691 | (synopsis "Python client for ONCat (ORNL Neutron Catalog)")
|
| 692 | (description
|
| 693 | "This package provides a Python client for ONCat, the Oak Ridge National
|
| 694 | Laboratory Neutron Catalog. ONCat is a data catalog service for neutron
|
| 695 | scattering facilities.")
|
| 696 | (license license:expat)))
|
| 697 |
|
| 698 | (define-public python-pyoncatqt
|
| 699 | (package
|
| 700 | (name "python-pyoncatqt")
|
| 701 | (version "1.2.1")
|
| 702 | (source
|
| 703 | (origin
|
| 704 | (method git-fetch)
|
| 705 | (uri (git-reference
|
| 706 | (url "https://github.com/neutrons/pyoncatqt")
|
| 707 | (commit (string-append "v" version))))
|
| 708 | (file-name (git-file-name name version))
|
| 709 | (sha256
|
| 710 | (base32 "1wdzff1jn2jv742qm7g728yzp7axgf7nrizm5hms2w796a1zdqwv"))))
|
| 711 | (build-system pyproject-build-system)
|
| 712 | (arguments
|
| 713 | (list
|
| 714 | #:tests? #f |
| 715 | #:phases
|
| 716 | #~(modify-phases %standard-phases
|
| 717 | (add-after 'unpack 'fix-version
|
| 718 | (lambda _
|
| 719 | |
| 720 | |
| 721 | (substitute* "pyproject.toml"
|
| 722 | (("dynamic = \\[\"version\"\\]")
|
| 723 | (string-append "version = \"" #$version "\""))
|
| 724 | (("source = \"versioningit\"") "")
|
| 725 | (("\\[tool\\.hatch\\.build\\.hooks\\.versioningit-onbuild\\]")
|
| 726 | "[tool.hatch.build.hooks.versioningit-onbuild]
|
| 727 | enable-by-default = false"))
|
| 728 | (mkdir-p "src/pyoncatqt")
|
| 729 | (call-with-output-file "src/pyoncatqt/_version.py"
|
| 730 | (lambda (port)
|
| 731 | (format port "__version__ = \"~a\"~%" #$version))))))))
|
| 732 | (native-inputs
|
| 733 | (list python-hatchling))
|
| 734 | (propagated-inputs
|
| 735 | (list python-oauthlib
|
| 736 | python-pyoncat
|
| 737 | python-qtpy))
|
| 738 | (home-page "https://github.com/neutrons/pyoncatqt")
|
| 739 | (synopsis "Qt GUI elements for ONCat authentication")
|
| 740 | (description
|
| 741 | "This package provides common Qt GUI elements for authenticating with
|
| 742 | ONCat (ORNL Neutron Catalog), including login dialogs and session management
|
| 743 | widgets.")
|
| 744 | (license license:gpl3)))
|
| 745 |
|
| 746 | (define-public python-pystog
|
| 747 | (package
|
| 748 | (name "python-pystog")
|
| 749 | (version "0.6.1")
|
| 750 | (source
|
| 751 | (origin
|
| 752 | (method git-fetch)
|
| 753 | (uri (git-reference
|
| 754 | (url "https://github.com/neutrons/pystog")
|
| 755 | (commit (string-append "v" version))))
|
| 756 | (file-name (git-file-name name version))
|
| 757 | (sha256
|
| 758 | (base32 "1dwljmyp083v5a189xzdxxsdkazh5bmbm2f2k79jp7lds0y8h9lg"))))
|
| 759 | (build-system pyproject-build-system)
|
| 760 | (arguments
|
| 761 | (list
|
| 762 | #:phases
|
| 763 | #~(modify-phases %standard-phases
|
| 764 | (add-after 'unpack 'fix-version
|
| 765 | (lambda _
|
| 766 | |
| 767 | |
| 768 | (substitute* "pyproject.toml"
|
| 769 | (("dynamic = \\[\"version\"\\]")
|
| 770 | (string-append "version = \"" #$version "\""))
|
| 771 | (("source = \"versioningit\"") "")
|
| 772 | (("\\[tool\\.hatch\\.build\\.hooks\\.versioningit-onbuild\\]")
|
| 773 | "[tool.hatch.build.hooks.versioningit-onbuild]
|
| 774 | enable-by-default = false"))
|
| 775 | (mkdir-p "src/pystog")
|
| 776 | (call-with-output-file "src/pystog/_version.py"
|
| 777 | (lambda (port)
|
| 778 | (format port "__version__ = \"~a\"~%" #$version))))))))
|
| 779 | (propagated-inputs
|
| 780 | (list python-h5py
|
| 781 | python-numpy))
|
| 782 | (native-inputs
|
| 783 | (list python-hatchling
|
| 784 | python-pytest))
|
| 785 | (home-page "https://github.com/neutrons/pystog")
|
| 786 | (synopsis "Total scattering function manipulator")
|
| 787 | (description
|
| 788 | "PyStoG is a Python package for converting between different total
|
| 789 | scattering functions used in crystalline and amorphous materials research.
|
| 790 | It handles reciprocal-space structure factors and real-space pair distribution
|
| 791 | functions, performing Fourier transforms between them and applying filters to
|
| 792 | remove spurious artifacts in the data.")
|
| 793 | (license license:gpl3+)))
|
| 794 |
|
| 795 | (define-public python-quasielasticbayes
|
| 796 | (package
|
| 797 | (name "python-quasielasticbayes")
|
| 798 | (version "0.3.0")
|
| 799 | (source
|
| 800 | (origin
|
| 801 | (method git-fetch)
|
| 802 | (uri (git-reference
|
| 803 | (url "https://github.com/mantidproject/quasielasticbayes")
|
| 804 | (commit (string-append "v" version))))
|
| 805 | (file-name (git-file-name name version))
|
| 806 | (sha256
|
| 807 | (base32 "05va9qygw4a9app61spw6hqmbn9cq09w0dik9g6xvzpwcmfb7yx4"))))
|
| 808 | (build-system meson-build-system)
|
| 809 | (arguments
|
| 810 | (list
|
| 811 | #:imported-modules (append %pyproject-build-system-modules
|
| 812 | %meson-build-system-modules)
|
| 813 | #:modules '((guix build meson-build-system)
|
| 814 | ((guix build pyproject-build-system) #:prefix py:)
|
| 815 | (guix build utils))
|
| 816 | #:phases
|
| 817 | #~(modify-phases %standard-phases
|
| 818 | (add-after 'install 'add-install-to-pythonpath
|
| 819 | (assoc-ref py:%standard-phases 'add-install-to-pythonpath))
|
| 820 | (add-after 'add-install-to-pythonpath 'check
|
| 821 | (lambda* (#:key tests? #:allow-other-keys)
|
| 822 | ((assoc-ref py:%standard-phases 'check)
|
| 823 | #:tests? tests?
|
| 824 | #:test-flags `("../source/src/quasielasticbayes/test")))))))
|
| 825 | (native-inputs
|
| 826 | (list gfortran
|
| 827 | python
|
| 828 | python-numpy
|
| 829 | python-pytest))
|
| 830 | (propagated-inputs
|
| 831 | (list python-numpy))
|
| 832 | (home-page "https://github.com/mantidproject/quasielasticbayes")
|
| 833 | (synopsis "Bayesian analysis for quasi-elastic neutron scattering")
|
| 834 | (description
|
| 835 | "This package provides Python wrappers for Fortran routines used to
|
| 836 | perform Bayesian analysis on quasi-elastic neutron-scattering data. The
|
| 837 | original Fortran code was written by Dr. Devinder Sivia in the 1980s.")
|
| 838 | (license license:bsd-3)))
|
| 839 |
|
| 840 | (define-public python-quickbayes
|
| 841 | (package
|
| 842 | (name "python-quickbayes")
|
| 843 | (version "1.0.2")
|
| 844 | (source
|
| 845 | (origin
|
| 846 | (method url-fetch)
|
| 847 | (uri (pypi-uri "quickbayes" version))
|
| 848 | (sha256
|
| 849 | (base32 "1w3w612cz92bkxjk2wyfcjf502vgp45ajpz92llk1d0z8q1pdn49"))))
|
| 850 | (build-system pyproject-build-system)
|
| 851 | (arguments
|
| 852 | (list
|
| 853 | #:test-flags
|
| 854 | |
| 855 | |
| 856 | |
| 857 | |
| 858 | #~(list "test/gofit" "test/shared")))
|
| 859 | (propagated-inputs
|
| 860 | (list python-joblib python-numpy python-scipy))
|
| 861 | (native-inputs
|
| 862 | (list python-hatchling python-pytest python-gofit))
|
| 863 | (home-page "https://quickbayes.readthedocs.io/")
|
| 864 | (synopsis "Bayesian analysis tools for neutron scattering")
|
| 865 | (description
|
| 866 | "QuickBayes provides Bayesian analysis tools for analyzing neutron
|
| 867 | scattering data. It is designed for use with the Mantid framework for
|
| 868 | neutron and muon data analysis.")
|
| 869 | (license license:bsd-3)))
|
| 870 |
|
| 871 | (define-public python-qutip
|
| 872 | (package
|
| 873 | (name "python-qutip")
|
| 874 | (version "5.3.1")
|
| 875 | (source
|
| 876 | (origin
|
| 877 | (method git-fetch)
|
| 878 | (uri (git-reference
|
| 879 | (url "https://github.com/qutip/qutip")
|
| 880 | (commit (string-append "v" version))))
|
| 881 | (file-name (git-file-name name version))
|
| 882 | (sha256
|
| 883 | (base32 "0srlw6f8bg6ynps8r827y75drygbx489lcj3ay8y2yim09w0is1i"))))
|
| 884 | (build-system pyproject-build-system)
|
| 885 | (arguments
|
| 886 | (list
|
| 887 | |
| 888 | |
| 889 | #:test-flags
|
| 890 | #~(list "-m" "not (flaky or slow)"
|
| 891 | |
| 892 | "--ignore" "tests/solver/test_parallel.py")
|
| 893 | #:phases
|
| 894 | #~(modify-phases %standard-phases
|
| 895 | (add-before 'check 'remove-local-source
|
| 896 | (lambda _
|
| 897 | (copy-recursively "qutip/tests" "tests")
|
| 898 | (delete-file-recursively "qutip"))))))
|
| 899 | (native-inputs
|
| 900 | (list python-cython
|
| 901 | python-pytest
|
| 902 | python-pytest-rerunfailures
|
| 903 | python-setuptools))
|
| 904 | (propagated-inputs
|
| 905 | (list python-numpy
|
| 906 | python-packaging
|
| 907 | python-scipy
|
| 908 | |
| 909 | python-cvxopt
|
| 910 | python-cvxpy
|
| 911 | python-loky
|
| 912 | python-mpi4py
|
| 913 | python-mpmath
|
| 914 | python-tqdm))
|
| 915 | (home-page "https://qutip.org")
|
| 916 | (synopsis "Quantum Toolbox in Python")
|
| 917 | (description
|
| 918 | "QuTiP is a library for simulating the dynamics of closed and open quantum
|
| 919 | systems. It aims to provide numerical simulations of a wide variety of quantum
|
| 920 | mechanical problems, including those with Hamiltonians and/or collapse operators
|
| 921 | with arbitrary time-dependence, commonly found in a wide range of physics
|
| 922 | applications.")
|
| 923 | (license license:bsd-3)))
|
| 924 |
|
| 925 | (define-public python-shiver
|
| 926 | (package
|
| 927 | (name "python-shiver")
|
| 928 | (version "1.8.2")
|
| 929 | (source
|
| 930 | (origin
|
| 931 | (method git-fetch)
|
| 932 | (uri (git-reference
|
| 933 | (url "https://github.com/neutrons/Shiver")
|
| 934 | (commit (string-append "v" version))))
|
| 935 | (file-name (git-file-name name version))
|
| 936 | (sha256
|
| 937 | (base32 "05bxn1wqqylixzkk4is9nqkcsxfiix46s8m18db4c1zj7kkjawwv"))))
|
| 938 | (build-system pyproject-build-system)
|
| 939 | (arguments
|
| 940 | (list
|
| 941 | #:tests? #f |
| 942 | #:phases
|
| 943 | #~(modify-phases %standard-phases
|
| 944 | (add-after 'unpack 'fix-version
|
| 945 | (lambda _
|
| 946 | |
| 947 | |
| 948 | (substitute* "pyproject.toml"
|
| 949 | (("dynamic = \\[\"version\"\\]")
|
| 950 | (string-append "version = \"" #$version "\""))
|
| 951 | (("source = \"versioningit\"") "")
|
| 952 | (("\\[tool\\.hatch\\.build\\.hooks\\.versioningit-onbuild\\]")
|
| 953 | "[tool.hatch.build.hooks.versioningit-onbuild]
|
| 954 | enable-by-default = false"))
|
| 955 | (mkdir-p "src/shiver")
|
| 956 | (call-with-output-file "src/shiver/_version.py"
|
| 957 | (lambda (port)
|
| 958 | (format port "__version__ = \"~a\"~%" #$version))))))))
|
| 959 | (native-inputs
|
| 960 | (list python-hatchling))
|
| 961 | (propagated-inputs
|
| 962 | (list python-configupdater
|
| 963 | python-pyoncatqt
|
| 964 | python-qtpy))
|
| 965 | (home-page "https://github.com/neutrons/Shiver")
|
| 966 | (synopsis "Spectroscopy histogram visualizer for neutron event reduction")
|
| 967 | (description
|
| 968 | "Shiver (Spectroscopy Histogram Visualizer for Event Reduction) is a
|
| 969 | desktop application for examining Time of Flight inelastic neutron data from
|
| 970 | single crystal, direct geometry experiments. It integrates with Mantid
|
| 971 | Workbench and appears in the Interfaces menu when both packages are
|
| 972 | installed.")
|
| 973 | (license license:gpl3)))
|
| 974 |
|
| 975 | (define-public python-spglib
|
| 976 | (package
|
| 977 | (name "python-spglib")
|
| 978 | (version "2.6.0")
|
| 979 | (source
|
| 980 | (origin
|
| 981 | (method url-fetch)
|
| 982 | (uri (pypi-uri "spglib" version))
|
| 983 | (sha256
|
| 984 | (base32 "1sq8niay87n7hmby6hs628zzpc4apx6kp77cjvyi87hal0mxlvnn"))))
|
| 985 | (build-system pyproject-build-system)
|
| 986 | (propagated-inputs
|
| 987 | (list python-numpy
|
| 988 | python-typing-extensions))
|
| 989 | (native-inputs
|
| 990 | (list cmake-minimal
|
| 991 | python-pytest
|
| 992 | python-pyyaml
|
| 993 | python-scikit-build-core
|
| 994 | python-setuptools-scm))
|
| 995 | (home-page "https://spglib.readthedocs.io/")
|
| 996 | (synopsis "Python bindings for spglib crystal symmetry library")
|
| 997 | (description
|
| 998 | "Spglib is a library for finding and handling crystal symmetries written
|
| 999 | in C. This package provides Python bindings for spglib, allowing Python
|
| 1000 | programs to find symmetry operations, identify space groups, and perform
|
| 1001 | other symmetry-related operations on crystal structures.")
|
| 1002 | (license license:bsd-3)))
|
| 1003 |
|
| 1004 | (define-public python-seekpath
|
| 1005 | (package
|
| 1006 | (name "python-seekpath")
|
| 1007 | (version "2.1.0")
|
| 1008 | (source
|
| 1009 | (origin
|
| 1010 | (method url-fetch)
|
| 1011 | (uri (pypi-uri "seekpath" version))
|
| 1012 | (sha256
|
| 1013 | (base32 "1i2jhjc4ikd31v8wkxzfrvhwlv0dlzpkysf3lkafcql2c9wwbkii"))))
|
| 1014 | (build-system pyproject-build-system)
|
| 1015 | (arguments
|
| 1016 | (list
|
| 1017 | #:phases
|
| 1018 | #~(modify-phases %standard-phases
|
| 1019 | (replace 'check
|
| 1020 | (lambda* (#:key tests? #:allow-other-keys)
|
| 1021 | (when tests?
|
| 1022 | (invoke "pytest" "-vv" "tests")))))))
|
| 1023 | (propagated-inputs
|
| 1024 | (list python-numpy
|
| 1025 | python-scipy
|
| 1026 | python-spglib))
|
| 1027 | (native-inputs
|
| 1028 | (list python-pytest
|
| 1029 | python-setuptools))
|
| 1030 | (home-page "https://github.com/giovannipizzi/seekpath")
|
| 1031 | (synopsis "K-path finder for band structure calculations")
|
| 1032 | (description
|
| 1033 | "SeeK-path is a Python module to obtain band paths in the Brillouin zone
|
| 1034 | of crystal structures. It automatically detects Bravais lattice types and
|
| 1035 | generates k-point labels and band paths following crystallographic
|
| 1036 | conventions.")
|
| 1037 | (license license:expat)))
|
| 1038 |
|
| 1039 | (define-public python-euphonic
|
| 1040 | (package
|
| 1041 | (name "python-euphonic")
|
| 1042 | (version "2.0.0")
|
| 1043 | (source
|
| 1044 | (origin
|
| 1045 | (method git-fetch)
|
| 1046 | (uri (git-reference
|
| 1047 | (url "https://github.com/pace-neutrons/Euphonic")
|
| 1048 | (commit (string-append "v" version))))
|
| 1049 | (file-name (git-file-name name version))
|
| 1050 | (sha256
|
| 1051 | (base32 "1w6rks3ipbv2dxw9kvypj2s185ysc4c3hlc6ym6x4wvr97gkx0id"))))
|
| 1052 | (build-system pyproject-build-system)
|
| 1053 | (arguments
|
| 1054 | (list
|
| 1055 | |
| 1056 | #:test-flags
|
| 1057 | #~(list "--numprocesses" (number->string (parallel-job-count))
|
| 1058 | |
| 1059 | |
| 1060 | #$@(map (lambda (test) (string-append "--deselect="
|
| 1061 | "tests_and_analysis/"
|
| 1062 | "test/euphonic_test/"
|
| 1063 | test))
|
| 1064 | (list
|
| 1065 | (string-append "test_qpoint_frequencies.py"
|
| 1066 | "::TestQpointFrequenciesCalculateDosMap"
|
| 1067 | "::test_calculate_dos_map")
|
| 1068 | (string-append "test_qpoint_frequencies.py"
|
| 1069 | "::TestQpointFrequenciesGetDispersion"
|
| 1070 | "::test_get_dispersion")
|
| 1071 | (string-append "test_structure_factor.py"
|
| 1072 | "::TestStructureFactorCalculateSqwMap"
|
| 1073 | "::test_calculate_sqw_map_with_0_"
|
| 1074 | "inv_cm_bin_doesnt_emit_runtime_warn")
|
| 1075 | (string-append "test_util.py::TestGetQptLabels"
|
| 1076 | "::test_get_qpt_labels"))))
|
| 1077 | #:phases
|
| 1078 | #~(modify-phases %standard-phases
|
| 1079 | (add-before 'build 'fix-numpy-include
|
| 1080 | (lambda* (#:key inputs #:allow-other-keys)
|
| 1081 | (let* ((numpy (assoc-ref inputs "python-numpy"))
|
| 1082 | (site (site-packages inputs `(("out" . ,numpy)))))
|
| 1083 | (substitute* "meson.build"
|
| 1084 | (("np_inc = include_directories\\(py\\.get_path\\('platlib'\\) / 'numpy/core/include'\\)")
|
| 1085 | (string-append "np_inc = include_directories('"
|
| 1086 | numpy site "/numpy/core/include')"))))))
|
| 1087 | (add-before 'check 'delete-source
|
| 1088 | (lambda _
|
| 1089 | (delete-file-recursively "euphonic"))))))
|
| 1090 | (propagated-inputs
|
| 1091 | (list python-numpy
|
| 1092 | python-packaging
|
| 1093 | python-pint
|
| 1094 | python-scipy
|
| 1095 | python-seekpath
|
| 1096 | python-spglib
|
| 1097 | python-threadpoolctl
|
| 1098 | python-toolz
|
| 1099 | python-typing-extensions
|
| 1100 | |
| 1101 | python-brille
|
| 1102 | python-h5py
|
| 1103 | python-matplotlib
|
| 1104 | python-pyyaml))
|
| 1105 | (native-inputs
|
| 1106 | (list ninja
|
| 1107 | pkg-config
|
| 1108 | python-meson
|
| 1109 | python-pytest
|
| 1110 | python-pytest-xdist
|
| 1111 | python-pytest-lazy-fixtures
|
| 1112 | python-pytest-mock))
|
| 1113 | (home-page "https://github.com/pace-neutrons/Euphonic")
|
| 1114 | (synopsis "Phonon calculations for inelastic neutron scattering")
|
| 1115 | (description
|
| 1116 | "Euphonic is a Python package for calculating phonon bandstructures and
|
| 1117 | simulating inelastic neutron scattering (INS) from force constants. It can
|
| 1118 | read output from CASTEP and Phonopy and calculate phonon frequencies,
|
| 1119 | eigenvectors, and structure factors.")
|
| 1120 | (license license:gpl3+)))
|
| 1121 |
|
| 1122 | (define-public mantid
|
| 1123 | (package
|
| 1124 | (name "mantid")
|
| 1125 | (version "6.16.0")
|
| 1126 | (source
|
| 1127 | (origin
|
| 1128 | (method git-fetch)
|
| 1129 | (uri (git-reference
|
| 1130 | (url "https://github.com/mantidproject/mantid")
|
| 1131 | (commit (string-append "v" version))))
|
| 1132 | (file-name (git-file-name name version))
|
| 1133 | (sha256
|
| 1134 | (base32 "1nmkcrdba6x2fc04fgykc7iwfpqldbwrfsbvwlrfa03d5gb522ac"))
|
| 1135 | (patches
|
| 1136 | (search-patches "mantid-openmp-cleanup.patch"))))
|
| 1137 | (build-system qt-build-system)
|
| 1138 | (arguments
|
| 1139 | (list
|
| 1140 | #:build-type "Release"
|
| 1141 | #:configure-flags
|
| 1142 | #~(list "-DENABLE_MANTIDQT=ON"
|
| 1143 | "-DENABLE_WORKBENCH=ON"
|
| 1144 | "-DENABLE_DOCS=OFF"
|
| 1145 | "-DENABLE_PRECOMMIT=OFF"
|
| 1146 | "-DCMAKE_CXX_STANDARD=20"
|
| 1147 | "-DCMAKE_SKIP_BUILD_RPATH=FALSE"
|
| 1148 | "-DCMAKE_BUILD_WITH_INSTALL_RPATH=FALSE"
|
| 1149 | "-DCMAKE_INSTALL_RPATH_USE_LINK_PATH=TRUE"
|
| 1150 | (string-append "-DCMAKE_PREFIX_PATH="
|
| 1151 | #$(this-package-input "qtbase"))
|
| 1152 | (string-append "-DPYQT5_SIP_DIR="
|
| 1153 | #$(this-package-input "python-pyqt")
|
| 1154 | "/lib/python"
|
| 1155 | #$(version-major+minor (package-version python))
|
| 1156 | "/site-packages/PyQt5/bindings"))
|
| 1157 | #:modules '((guix build qt-build-system)
|
| 1158 | (guix build utils)
|
| 1159 | (ice-9 textual-ports))
|
| 1160 | #:phases
|
| 1161 | #~(modify-phases %standard-phases
|
| 1162 | (add-after 'unpack 'fix-boost-system
|
| 1163 | (lambda _
|
| 1164 | |
| 1165 | (setrlimit 'core #f #f)
|
| 1166 | |
| 1167 | |
| 1168 | |
| 1169 | |
| 1170 | (substitute* "buildconfig/CMake/CommonSetup.cmake"
|
| 1171 | (("date_time regex serialization filesystem system")
|
| 1172 | "date_time regex serialization filesystem")
|
| 1173 | (("find_package\\(HDF4 REQUIRED\\)")
|
| 1174 | "# HDF4 disabled - no hdf4 package in Guix"))
|
| 1175 | (substitute* "Framework/LegacyNexus/CMakeLists.txt"
|
| 1176 | (("\\$\\{HDF4_DF_LIBRARY\\} \\$\\{HDF4_MFHDF_LIBRARY\\} ")
|
| 1177 | ""))
|
| 1178 | (substitute* "Framework/LegacyNexus/inc/MantidLegacyNexus/napiconfig.h"
|
| 1179 | (("#define WITH_HDF4")
|
| 1180 | "/* #define WITH_HDF4 - disabled, no hdf4 in Guix */"))))
|
| 1181 | (add-after 'unpack 'fix-version-detection
|
| 1182 | (lambda _
|
| 1183 | |
| 1184 | |
| 1185 | |
| 1186 | (call-with-output-file "buildconfig/CMake/VersionNumber.cmake"
|
| 1187 | (lambda (port)
|
| 1188 | (format port "# Version information - patched for Guix build
|
| 1189 | set(VERSION_MAJOR ~a)
|
| 1190 | set(VERSION_MINOR ~a)
|
| 1191 | set(VERSION_PATCH ~a)
|
| 1192 | set(VERSION_TWEAK \"\")
|
| 1193 | set(REVISION_FULL \"v~a\")
|
| 1194 | set(REVISION_SHORT \"v~a\")
|
| 1195 | set(REVISION_DATE \"Thu, 06 Nov 2025\")
|
| 1196 | message(STATUS \"Version: ${VERSION_MAJOR}.${VERSION_MINOR}.${VERSION_PATCH}${VERSION_TWEAK}\")
|
| 1197 | "
|
| 1198 | #$(version-major version)
|
| 1199 | #$(cadr (string-split version #\.))
|
| 1200 | #$(string-drop version (+ 1 (string-length (version-major+minor version))))
|
| 1201 | #$version
|
| 1202 | #$version)))))
|
| 1203 | (add-after 'unpack 'use-system-googletest
|
| 1204 | (lambda _
|
| 1205 | |
| 1206 | |
| 1207 | |
| 1208 | |
| 1209 | (with-output-to-file "buildconfig/CMake/GoogleTest.cmake"
|
| 1210 | (lambda ()
|
| 1211 | (display "# Use system googletest
|
| 1212 | include(CMakePackageConfigHelpers)
|
| 1213 | include(GNUInstallDirs)
|
| 1214 |
|
| 1215 | find_package(GTest REQUIRED)
|
| 1216 | # Create aliases that mantid expects
|
| 1217 | if(NOT TARGET gmock)
|
| 1218 | add_library(gmock ALIAS GTest::gmock)
|
| 1219 | endif()
|
| 1220 | if(NOT TARGET gtest)
|
| 1221 | add_library(gtest ALIAS GTest::gtest)
|
| 1222 | endif()
|
| 1223 | if(NOT TARGET gmock_main)
|
| 1224 | add_library(gmock_main ALIAS GTest::gmock_main)
|
| 1225 | endif()
|
| 1226 | if(NOT TARGET gtest_main)
|
| 1227 | add_library(gtest_main ALIAS GTest::gtest_main)
|
| 1228 | endif()
|
| 1229 | ")))))
|
| 1230 | (add-after 'unpack 'fix-sip-include-dirs
|
| 1231 | (lambda* (#:key inputs #:allow-other-keys)
|
| 1232 | |
| 1233 | |
| 1234 | (let ((pyqt-sip-dir (string-append
|
| 1235 | (assoc-ref inputs "python-pyqt")
|
| 1236 | "/lib/python"
|
| 1237 | #$(version-major+minor
|
| 1238 | (package-version python))
|
| 1239 | "/site-packages/PyQt5/bindings")))
|
| 1240 | (substitute* "buildconfig/CMake/sip-templates/pyproject.toml.in"
|
| 1241 | (("\\[tool\\.sip\\.project\\]")
|
| 1242 | (string-append "[tool.sip.project]\n"
|
| 1243 | "sip-include-dirs = [\"" pyqt-sip-dir "\"]"))))))
|
| 1244 | (add-after 'unpack 'fix-pip-no-network
|
| 1245 | (lambda _
|
| 1246 | |
| 1247 | |
| 1248 | |
| 1249 | |
| 1250 | |
| 1251 | (substitute* "buildconfig/CMake/PythonPackageTargetFunctions.cmake"
|
| 1252 | (("\\$\\{Python_EXECUTABLE\\} -m pip install --editable \\.")
|
| 1253 | "${CMAKE_COMMAND} -E true")
|
| 1254 | (("pip install \\$\\{CMAKE_CURRENT_SOURCE_DIR\\}")
|
| 1255 | "pip install --no-build-isolation --prefix ${CMAKE_INSTALL_PREFIX} ${CMAKE_CURRENT_SOURCE_DIR}"))))
|
| 1256 | |
| 1257 | |
| 1258 | (add-after 'unpack 'remove-external-data-dependencies
|
| 1259 | (lambda _
|
| 1260 | (substitute* (find-files "." "CMakeLists\\.txt$")
|
| 1261 | (("add_dependencies\\([A-Za-z]+Test UnitTestData\\)") ""))))
|
| 1262 | (add-after 'unpack 'fix-rpath-for-guix
|
| 1263 | (lambda _
|
| 1264 | |
| 1265 | |
| 1266 | |
| 1267 | |
| 1268 | |
| 1269 | |
| 1270 | |
| 1271 | |
| 1272 | |
| 1273 | |
| 1274 | (substitute* (append (filter (lambda (f)
|
| 1275 | (not (string-contains f "PythonInterface")))
|
| 1276 | (find-files "." "CMakeLists\\.txt$"))
|
| 1277 | (find-files "buildconfig/CMake" "\\.cmake$"))
|
| 1278 | (("PROPERTIES INSTALL_RPATH")
|
| 1279 | "PROPERTIES DISABLED_INSTALL_RPATH"))
|
| 1280 | |
| 1281 | |
| 1282 | (substitute* "Framework/PythonInterface/CMakeLists.txt"
|
| 1283 | (("set\\(EXT_INSTALL_RPATH [^)]*\\)")
|
| 1284 | (string-append "set(EXT_INSTALL_RPATH \"" #$output "/lib;" #$output "/plugins\")")))))
|
| 1285 | (add-after 'unpack 'remove-disable-new-dtags
|
| 1286 | (lambda _
|
| 1287 | |
| 1288 | |
| 1289 | (substitute* "buildconfig/CMake/GNUSetup.cmake"
|
| 1290 | (("-Wl,--disable-new-dtags")
|
| 1291 | ""))
|
| 1292 | (substitute* "qt/python/mantidqt/mantidqt/widgets/codeeditor/test/test_codeeditor.py"
|
| 1293 | (("exc\\.__name__") "type(exc).__name__"))
|
| 1294 | |
| 1295 | (substitute* "scripts/test/Engineering/texture/test_TextureUtils.py"
|
| 1296 | (("self\\.assertTrue\\(np\\.all\\(\\(_get_run_and_prefix_from_ws_log\\(mock_ws, ws_name\\), \\(run_number, prefix\\)\\)\\)\\)")
|
| 1297 | "self.assertEqual(_get_run_and_prefix_from_ws_log(mock_ws, ws_name), (run_number, prefix))"))
|
| 1298 | (substitute* "scripts/test/Engineering/common/test_texture_sample_viewer.py"
|
| 1299 | (("self\\.assertTrue\\(np\\.all\\(\\(mesh\\.shape, \\(12, 3, 3\\)\\)\\)\\)")
|
| 1300 | "self.assertEqual(mesh.shape, (12, 3, 3))")
|
| 1301 | (("self\\.assertTrue\\(np\\.all\\(\\(np\\.unique\\(mesh\\), \\(-1, 1\\)\\)\\)\\)")
|
| 1302 | "self.assertTrue(np.array_equal(np.unique(mesh), np.array([-1, 1])))")
|
| 1303 | (("self\\.assertTrue\\(np\\.all\\(\\(mesh, self\\.get_cube_mesh\\(2\\)\\)\\)\\)")
|
| 1304 | "self.assertTrue(np.array_equal(mesh, self.get_cube_mesh(2)))"))
|
| 1305 | (substitute*
|
| 1306 | "qt/python/mantidqtinterfaces/mantidqtinterfaces/Engineering/gui/engineering_diffraction/tabs/texture/test/test_texture_presenter.py"
|
| 1307 | (("self\\.assertTrue\\(np\\.all\\(\\(self\\.presenter\\.ws_names, \\[\"existing_ws\", \"new_ws\"\\]\\)\\)\\)")
|
| 1308 | "self.assertEqual(self.presenter.ws_names, [\"existing_ws\", \"new_ws\"])")
|
| 1309 | (("self\\.assertTrue\\(np\\.all\\(\\(self\\.presenter\\.ws_names, \\[\"ws2\"\\]\\)\\)\\)")
|
| 1310 | "self.assertEqual(self.presenter.ws_names, [\"ws2\"])")
|
| 1311 | (("self\\.assertTrue\\(np\\.all\\(\\(self\\.presenter\\.get_assigned_params\\(\\), \\[\"param2\"\\]\\)\\)\\)")
|
| 1312 | "self.assertEqual(self.presenter.get_assigned_params(), [\"param2\"])"))
|
| 1313 | |
| 1314 | (substitute* "scripts/SCD_Reduction/BVGFitTools.py"
|
| 1315 | (("np\\.xrange") "range"))
|
| 1316 | |
| 1317 | (substitute* "Framework/PythonInterface/mantid/plots/utility.py"
|
| 1318 | (("getattr\\(legend, SET_DRAGGABLE_METHOD\\)\\(state, use_blit, update\\)")
|
| 1319 | "try:\n getattr(legend, SET_DRAGGABLE_METHOD)(state, use_blit, update)\n except KeyError:\n pass # Offscreen backend doesn't support draggable legends"))
|
| 1320 | |
| 1321 | |
| 1322 | (substitute* "Framework/PythonInterface/test/python/mantid/plots/legendTest.py"
|
| 1323 | (("import matplotlib\\.pyplot as plt")
|
| 1324 | "import matplotlib
|
| 1325 | matplotlib.use(\"AGG\")
|
| 1326 | import matplotlib.pyplot as plt"))
|
| 1327 | |
| 1328 | |
| 1329 | (substitute* "Framework/PythonInterface/test/python/mantid/plots/modest_image/test_modest_image.py"
|
| 1330 | (("\\.tostring_rgb\\(\\)") ".buffer_rgba()")
|
| 1331 | (("np\\.fromstring\\(") "np.frombuffer(")
|
| 1332 | (("np\\.frombuffer\\(([^)]*), sep=\"\"\\)" all args)
|
| 1333 | (string-append "np.frombuffer(" args ")"))
|
| 1334 | (("get_width_height\\(\\)\\[::-1\\] \\+ \\(3,\\)")
|
| 1335 | "get_width_height()[::-1] + (4,)"))
|
| 1336 | |
| 1337 | |
| 1338 | (substitute* "Framework/PythonInterface/mantid/plots/mantidaxes.py"
|
| 1339 | (("self\\.containers\\.remove\\(artist\\)")
|
| 1340 | "self.containers.remove(artist) if artist in self.containers else None"))
|
| 1341 | (substitute* "qt/python/mantidqt/mantidqt/widgets/plotconfigdialog/curvestabwidget/__init__.py"
|
| 1342 | (("ax\\.containers\\.remove\\(curve\\)")
|
| 1343 | "ax.containers.remove(curve) if curve in ax.containers else None"))))
|
| 1344 | (add-after 'qt-wrap 'unwrap-non-executables
|
| 1345 | (lambda _
|
| 1346 | |
| 1347 | |
| 1348 | (for-each
|
| 1349 | (lambda (file)
|
| 1350 | (let ((wrapped (string-append #$output "/bin/" file))
|
| 1351 | (real (string-append #$output "/bin/." file "-real")))
|
| 1352 | (when (file-exists? real)
|
| 1353 | (delete-file wrapped)
|
| 1354 | (rename-file real wrapped))))
|
| 1355 | '("Mantid.properties" "mantid-scripts.pth"))))
|
| 1356 | (add-after 'unwrap-non-executables 'wrap-python
|
| 1357 | (lambda _
|
| 1358 | (let* ((python-version #$(version-major+minor (package-version python)))
|
| 1359 | (bin-dir (string-append #$output "/bin"))
|
| 1360 | (site-packages (string-append #$output "/lib/python"
|
| 1361 | python-version "/site-packages")))
|
| 1362 | (for-each
|
| 1363 | (lambda (prog)
|
| 1364 | (wrap-program (string-append bin-dir "/" prog)
|
| 1365 | `("GUIX_PYTHONPATH" prefix
|
| 1366 | (,site-packages ,(getenv "GUIX_PYTHONPATH")))
|
| 1367 | `("PYTHONPATH" prefix (,bin-dir))
|
| 1368 | `("FORCE_QT_API" = ("PyQt5"))))
|
| 1369 | '("launch_mantidworkbench" "workbench" "instrumentview")))))
|
| 1370 | |
| 1371 | (add-before 'check 'build-tests
|
| 1372 | (lambda* (#:key parallel-build? #:allow-other-keys)
|
| 1373 | (let ((job-count (if parallel-build?
|
| 1374 | (number->string (parallel-job-count))
|
| 1375 | "1")))
|
| 1376 | (invoke "cmake" "--build" "." "--target" "AllTests"
|
| 1377 | "-j" job-count))))
|
| 1378 | |
| 1379 | |
| 1380 | |
| 1381 | |
| 1382 | (add-before 'check 'fix-test-pythonpath
|
| 1383 | (lambda _
|
| 1384 | (let* ((source-dir (string-append (dirname (getcwd)) "/source"))
|
| 1385 | (build-dir (getcwd))
|
| 1386 | |
| 1387 | |
| 1388 | (mantid-path (string-append source-dir "/Framework/PythonInterface"))
|
| 1389 | |
| 1390 | (pth-files '("bin/mantid-scripts.pth"
|
| 1391 | "bin/testhelpers.pth"))
|
| 1392 | (pth-paths
|
| 1393 | (apply append
|
| 1394 | (map (lambda (pth-file)
|
| 1395 | (if (file-exists? pth-file)
|
| 1396 | (string-split
|
| 1397 | (string-trim-right
|
| 1398 | (call-with-input-file pth-file
|
| 1399 | get-string-all))
|
| 1400 | #\newline)
|
| 1401 | '()))
|
| 1402 | pth-files)))
|
| 1403 | |
| 1404 | (qt-paths (list (string-append source-dir "/qt/python/mantidqt")
|
| 1405 | (string-append source-dir "/qt/python/mantidqtinterfaces")
|
| 1406 | (string-append source-dir "/qt/python/instrumentview")))
|
| 1407 | |
| 1408 | (workbench-path (string-append source-dir "/qt/applications/workbench"))
|
| 1409 | (all-paths (string-join (cons mantid-path (append pth-paths qt-paths (list workbench-path))) ":")))
|
| 1410 | (substitute* (find-files "." "CTestTestfile\\.cmake$")
|
| 1411 | |
| 1412 | (("PYTHONPATH=")
|
| 1413 | (string-append "PYTHONPATH=" all-paths ":"))
|
| 1414 | |
| 1415 | |
| 1416 | |
| 1417 | |
| 1418 | (("PROPERTIES +LABELS")
|
| 1419 | (string-append "PROPERTIES ENVIRONMENT \"PYTHONPATH="
|
| 1420 | all-paths "\" LABELS"))))
|
| 1421 | |
| 1422 | |
| 1423 | (rename-file "bin/sitecustomize.py" "bin/sitecustomize.py.bak")))
|
| 1424 | |
| 1425 | |
| 1426 | |
| 1427 | (add-before 'check 'set-home
|
| 1428 | (lambda _
|
| 1429 | (setenv "HOME" "/tmp")
|
| 1430 | (mkdir-p "/tmp/.mantid")))
|
| 1431 | |
| 1432 | |
| 1433 | |
| 1434 | |
| 1435 | |
| 1436 | |
| 1437 | |
| 1438 | |
| 1439 | |
| 1440 | |
| 1441 | |
| 1442 | |
| 1443 | |
| 1444 | |
| 1445 | |
| 1446 | |
| 1447 | |
| 1448 | |
| 1449 | |
| 1450 | |
| 1451 | |
| 1452 | (add-before 'check 'prepare-x
|
| 1453 | (lambda _
|
| 1454 | (system "Xvfb :99 -screen 0 1024x768x24 &")
|
| 1455 | (setenv "DISPLAY" ":99")
|
| 1456 | (setenv "MPLBACKEND" "Agg")))
|
| 1457 | |
| 1458 | |
| 1459 | |
| 1460 | |
| 1461 | (replace 'check
|
| 1462 | (lambda* (#:key tests? parallel-tests? #:allow-other-keys)
|
| 1463 | (when tests?
|
| 1464 | (setenv "OMP_NUM_THREADS" "10")
|
| 1465 | (setenv "OPENBLAS_NUM_THREADS" "10")
|
| 1466 | |
| 1467 | |
| 1468 | |
| 1469 | (setenv "MALLOC_CONF" "tcache:false") |
| 1470 | |
| 1471 | |
| 1472 | |
| 1473 | (let ((exclude-pattern
|
| 1474 | (string-join
|
| 1475 | '( |
| 1476 | |
| 1477 | "KernelTest_FileDescriptorTest" |
| 1478 | "KernelTest_LegacyNexusDescriptorTest" |
| 1479 | "KernelTest_AttenuationProfileTest" |
| 1480 | "KernelTest_ConfigServiceTest" |
| 1481 | |
| 1482 | "APITest_ScriptBuilderTest" |
| 1483 | "APITest_ExperimentInfoTest" |
| 1484 | "APITest_FileBackedExperimentInfoTest" |
| 1485 | "APITest_FileFinderTest" |
| 1486 | "APITest_FileLoaderRegistryTest" |
| 1487 | "APITest_FilePropertyTest" |
| 1488 | "APITest_GroupingLoaderTest" |
| 1489 | "APITest_WorkspaceHistoryIOTest" |
| 1490 | |
| 1491 | "AlgorithmsTest_AppendSpectraTest" |
| 1492 | "AlgorithmsTest_ApplyCalibrationTest" |
| 1493 | "AlgorithmsTest_ApplyTransmissionCorrectionTest" |
| 1494 | "AlgorithmsTest_CalculateEfficiencyTest" |
| 1495 | "AlgorithmsTest_CalculateTransmissionTest" |
| 1496 | "AlgorithmsTest_ChangeBinOffsetTest" |
| 1497 | "AlgorithmsTest_CloneWorkspaceTest" |
| 1498 | "AlgorithmsTest_ConjoinWorkspacesTest" |
| 1499 | "AlgorithmsTest_ConvertSpectrumAxisTest" |
| 1500 | "AlgorithmsTest_CorrectKiKfTest" |
| 1501 | "AlgorithmsTest_CorrectToFileTest" |
| 1502 | "AlgorithmsTest_CropToComponentTest" |
| 1503 | "AlgorithmsTest_DiffractionFocussing2Test" |
| 1504 | "AlgorithmsTest_DiffractionFocussingTest" |
| 1505 | "AlgorithmsTest_ExtractFFTSpectrumTest" |
| 1506 | "AlgorithmsTest_FFTSmooth2Test" |
| 1507 | "AlgorithmsTest_FilterBadPulsesTest" |
| 1508 | "AlgorithmsTest_FindCenterOfMassPosition2Test" |
| 1509 | "AlgorithmsTest_FindPeaksConvolveTest" |
| 1510 | "AlgorithmsTest_FindPeaksTest" |
| 1511 | "AlgorithmsTest_FitPeaksTest" |
| 1512 | "AlgorithmsTest_GetEiTest" |
| 1513 | "AlgorithmsTest_IdentifyNoisyDetectorsTest" |
| 1514 | "AlgorithmsTest_MultiplyRangeTest" |
| 1515 | "AlgorithmsTest_Q1D2Test" |
| 1516 | "AlgorithmsTest_Q1DWeightedTest" |
| 1517 | "AlgorithmsTest_QxyTest" |
| 1518 | "AlgorithmsTest_RebinRagged2Test" |
| 1519 | "AlgorithmsTest_RemoveSpectraTest" |
| 1520 | "AlgorithmsTest_SofQWCentreTest" |
| 1521 | "AlgorithmsTest_SofQWCutTest" |
| 1522 | "AlgorithmsTest_SofQWNormalisedPolygonTest" |
| 1523 | "AlgorithmsTest_SofQWPolygonTest" |
| 1524 | "AlgorithmsTest_SofQWTest" |
| 1525 | "AlgorithmsTest_StripVanadiumPeaks2Test" |
| 1526 | "AlgorithmsTest_StripVanadiumPeaksTest" |
| 1527 | "AlgorithmsTest_SumEventsByLogValueTest" |
| 1528 | "AlgorithmsTest_SumOverlappingTubesTest" |
| 1529 | "AlgorithmsTest_TransposeTest" |
| 1530 | "AlgorithmsTest_WeightedMeanTest" |
| 1531 | "AlgorithmsTest_CreateGroupingWorkspaceTest" |
| 1532 | "AlgorithmsTest_EstimateResolutionDiffractionTest" |
| 1533 | "AlgorithmsTest_MaskDetectorsIfTest" |
| 1534 | "AlgorithmsTest_VesuvioL1ThetaResolutionTest" |
| 1535 | |
| 1536 | "CrystalTest_CentroidPeaksTest" |
| 1537 | "CrystalTest_FindUBUsingFFTTest" |
| 1538 | "CrystalTest_FindUBUsingIndexedPeaksTest" |
| 1539 | "CrystalTest_FindUBUsingLatticeParametersTest" |
| 1540 | "CrystalTest_GoniometerAnglesFromPhiRotationTest" |
| 1541 | "CrystalTest_IndexSXPeaksTest" |
| 1542 | "CrystalTest_LoadIsawPeaksTest" |
| 1543 | "CrystalTest_LoadIsawUBTest" |
| 1544 | "CrystalTest_OptimizeCrystalPlacementTest" |
| 1545 | "CrystalTest_OptimizeLatticeForCellTypeTest" |
| 1546 | "CrystalTest_PeakHKLErrorsTest" |
| 1547 | "CrystalTest_PeakIntegrationTest" |
| 1548 | "CrystalTest_PredictFractionalPeaksTest" |
| 1549 | "CrystalTest_PredictSatellitePeaksTest" |
| 1550 | "CrystalTest_SCDCalibratePanels2ObjFuncTest" |
| 1551 | "CrystalTest_SCDCalibratePanels2Test" |
| 1552 | "CrystalTest_SCDCalibratePanelsTest" |
| 1553 | "CrystalTest_SaveIsawPeaksTest" |
| 1554 | "CrystalTest_SaveIsawUBTest" |
| 1555 | "CrystalTest_SaveLauenormTest" |
| 1556 | "CrystalTest_SelectCellOfTypeTest" |
| 1557 | "CrystalTest_SelectCellWithFormTest" |
| 1558 | "CrystalTest_SetCrystalLocationTest" |
| 1559 | "CrystalTest_ShowPeakHKLOffsetsTest" |
| 1560 | "CrystalTest_ShowPossibleCellsTest" |
| 1561 | "CrystalTest_TransformHKLTest" |
| 1562 | "CrystalTest_LoadIsawSpectrumTest" |
| 1563 | |
| 1564 | "CurveFittingTest_ConvolutionFitSequentialTest" |
| 1565 | "CurveFittingTest_FitPowderDiffPeaksTest" |
| 1566 | "CurveFittingTest_FunctionQDependsTest" |
| 1567 | "CurveFittingTest_PlotPeakByLogValueHelperTest" |
| 1568 | "CurveFittingTest_ProfileChiSquared1DTest" |
| 1569 | "CurveFittingTest_TabulatedFunctionTest" |
| 1570 | |
| 1571 | |
| 1572 | |
| 1573 | |
| 1574 | |
| 1575 | |
| 1576 | |
| 1577 | |
| 1578 | |
| 1579 | |
| 1580 | |
| 1581 | "DataHandlingTest_AlignAndFocusPowderSlimTest" |
| 1582 | "DataHandlingTest_DetermineChunkingTest" |
| 1583 | "DataHandlingTest_GroupDetectors2Test" |
| 1584 | "DataHandlingTest_LoadBBY2Test" |
| 1585 | "DataHandlingTest_LoadBBYTest" |
| 1586 | "DataHandlingTest_LoadCSNSNexusTest" |
| 1587 | "DataHandlingTest_LoadCalFileTest" |
| 1588 | "DataHandlingTest_LoadCanSAS1dTest" |
| 1589 | "DataHandlingTest_LoadDNSEventTest" |
| 1590 | "DataHandlingTest_LoadDaveGrpTest" |
| 1591 | "DataHandlingTest_LoadDetectorInfoTest" |
| 1592 | "DataHandlingTest_LoadDetectorsGroupingFileTest" |
| 1593 | "DataHandlingTest_LoadEMUauTest" |
| 1594 | "DataHandlingTest_LoadErrorEventsNexusTest" |
| 1595 | "DataHandlingTest_LoadEventNexusTest" |
| 1596 | "DataHandlingTest_LoadEventPreNexus2Test" |
| 1597 | "DataHandlingTest_LoadFITSTest" |
| 1598 | "DataHandlingTest_LoadGSSTest" |
| 1599 | "DataHandlingTest_LoadHFIRSANSTest" |
| 1600 | "DataHandlingTest_LoadIDFFromNexusTest" |
| 1601 | "DataHandlingTest_LoadILLDiffractionTest" |
| 1602 | "DataHandlingTest_LoadILLIndirect2Test" |
| 1603 | "DataHandlingTest_LoadILLLagrangeTest" |
| 1604 | "DataHandlingTest_LoadILLPolarizationFactorsTest" |
| 1605 | "DataHandlingTest_LoadILLPolarizedDiffractionTest" |
| 1606 | "DataHandlingTest_LoadILLReflectometryTest" |
| 1607 | "DataHandlingTest_LoadILLSALSATest" |
| 1608 | "DataHandlingTest_LoadILLSANSTest" |
| 1609 | "DataHandlingTest_LoadILLTOF2Test" |
| 1610 | "DataHandlingTest_LoadILLTOF3Test" |
| 1611 | "DataHandlingTest_LoadILLTest" |
| 1612 | "DataHandlingTest_LoadISISNexusTest" |
| 1613 | "DataHandlingTest_LoadInstrumentFromRawTest" |
| 1614 | "DataHandlingTest_LoadIsawDetCalTest" |
| 1615 | "DataHandlingTest_LoadLogTest" |
| 1616 | "DataHandlingTest_LoadMLZTest" |
| 1617 | "DataHandlingTest_LoadMappingTableTest" |
| 1618 | "DataHandlingTest_LoadMaskTest" |
| 1619 | "DataHandlingTest_LoadMcStasNexusTest" |
| 1620 | "DataHandlingTest_LoadMcStasTest" |
| 1621 | "DataHandlingTest_LoadMuonNexusV2Test" |
| 1622 | "DataHandlingTest_LoadNGEMTest" |
| 1623 | "DataHandlingTest_LoadNXSPETest" |
| 1624 | "DataHandlingTest_LoadNXcanSASTest" |
| 1625 | "DataHandlingTest_LoadNexusLogsTest" |
| 1626 | "DataHandlingTest_LoadNexusMonitorsTest" |
| 1627 | "DataHandlingTest_LoadNexusProcessedTest" |
| 1628 | "DataHandlingTest_LoadNexusTest" |
| 1629 | "DataHandlingTest_LoadPDFgetNFileTest" |
| 1630 | "DataHandlingTest_LoadPLNTest" |
| 1631 | "DataHandlingTest_LoadPLNnxsTest" |
| 1632 | "DataHandlingTest_LoadPreNexusMonitorsTest" |
| 1633 | "DataHandlingTest_LoadPreNexusTest" |
| 1634 | "DataHandlingTest_LoadQKKTest" |
| 1635 | "DataHandlingTest_LoadRKHTest" |
| 1636 | "DataHandlingTest_LoadRawBin0Test" |
| 1637 | "DataHandlingTest_LoadRawSaveNxsLoadNxsTest" |
| 1638 | "DataHandlingTest_LoadRawSpectrum0Test" |
| 1639 | "DataHandlingTest_LoadSINQFocusTest" |
| 1640 | "DataHandlingTest_LoadSPETest" |
| 1641 | "DataHandlingTest_LoadSampleDetailsFromRawTest" |
| 1642 | "DataHandlingTest_LoadSampleShapeTest" |
| 1643 | "DataHandlingTest_LoadSassenaTest" |
| 1644 | "DataHandlingTest_LoadSpecTest" |
| 1645 | "DataHandlingTest_LoadSpice2dTest" |
| 1646 | "DataHandlingTest_LoadSpiceAsciiTest" |
| 1647 | "DataHandlingTest_LoadSpiceXML2DDetTest" |
| 1648 | "DataHandlingTest_LoadSwansTest" |
| 1649 | "DataHandlingTest_LoadTOFRawNexusTest" |
| 1650 | "DataHandlingTest_LoadTest" |
| 1651 | "DataHandlingTest_ModifyDetectorDotDatFileTest" |
| 1652 | "DataHandlingTest_PDLoadCharacterizationsTest" |
| 1653 | "DataHandlingTest_RawFileInfoTest" |
| 1654 | "DataHandlingTest_SNSAppendGeometryToNexusTest" |
| 1655 | "DataHandlingTest_SaveBankScatteringAnglesTest" |
| 1656 | "DataHandlingTest_SaveCanSAS1dTest" |
| 1657 | "DataHandlingTest_SaveCanSAS1dTest2" |
| 1658 | "DataHandlingTest_SaveDaveGrpTest" |
| 1659 | "DataHandlingTest_SaveDetectorsGroupingTest" |
| 1660 | "DataHandlingTest_SaveGSASInstrumentFileTest" |
| 1661 | "DataHandlingTest_SaveMaskTest" |
| 1662 | "DataHandlingTest_SaveNISTDATTest" |
| 1663 | "DataHandlingTest_SaveNexusTest" |
| 1664 | "DataHandlingTest_SaveOpenGenieAsciiTest" |
| 1665 | "DataHandlingTest_SavePDFGuiTest" |
| 1666 | "DataHandlingTest_SaveRMCProfileTest" |
| 1667 | "DataHandlingTest_CreateSimulationWorkspaceTest" |
| 1668 | "DataHandlingTest_GenerateGroupingPowder2Test" |
| 1669 | "DataHandlingTest_GenerateGroupingPowderTest" |
| 1670 | "DataHandlingTest_LoadAsciiStlTest" |
| 1671 | "DataHandlingTest_LoadBinaryStlTest" |
| 1672 | "DataHandlingTest_LoadEmptyInstrumentTest" |
| 1673 | "DataHandlingTest_LoadEventAsWorkspace2DTest" |
| 1674 | "DataHandlingTest_LoadNexusProcessed2Test" |
| 1675 | "DataHandlingTest_LoadPSIMuonBinTest" |
| 1676 | "DataHandlingTest_LoadRaw3Test" |
| 1677 | "DataHandlingTest_LoadSESANSTest" |
| 1678 | "DataHandlingTest_LoadSampleEnvironmentTest" |
| 1679 | "DataHandlingTest_MeshFileIOTest" |
| 1680 | "DataHandlingTest_SampleEnvironmentSpecParserTest" |
| 1681 | "DataHandlingTest_SaveGSSTest" |
| 1682 | "DataHandlingTest_SaveNexusESSTest" |
| 1683 | "DataHandlingTest_SaveNexusProcessedTest" |
| 1684 | "DataHandlingTest_SaveReflectometryAsciiTest" |
| 1685 | "DataHandlingTest_SaveStlTest" |
| 1686 | "DataHandlingTest_SetScalingPSDTest" |
| 1687 | "DataHandlingTest_StartAndEndTimeFromNexusFileExtractorTest" |
| 1688 | "DataHandlingTest_UpdateInstrumentFromFileTest" |
| 1689 | "DataHandlingTest_XMLInstrumentParameterTest" |
| 1690 | "DataHandlingTest_ProcessBankSplitFullTimeTaskTest" |
| 1691 | "DataHandlingTest_LoadNXcanSASPerformanceTest2D" |
| 1692 | "DataHandlingTest_SaveNXcanSASTest" |
| 1693 | "DataHandlingTest_SavePolarizedNXcanSASTest" |
| 1694 | "LegacyNexusTest_LegacyNeXusFileLeakTest" |
| 1695 | "LegacyNexusTest_LegacyNeXusFileNapiTest" |
| 1696 | "LegacyNexusTest_LegacyNeXusFileReadTest" |
| 1697 | "LegacyNexusTest_LegacyNeXusFileTest" |
| 1698 | "LiveDataTest_FileEventDataListenerTest" |
| 1699 | "MDAlgorithmsTest_ConvertCWPDMDToSpectraTest" |
| 1700 | "MDAlgorithmsTest_ConvertCWSDExpToMomentumTest" |
| 1701 | "MDAlgorithmsTest_ConvertHFIRSCDtoMDETest" |
| 1702 | "MDAlgorithmsTest_ConvertSpiceDataToRealSpaceTest" |
| 1703 | "MDAlgorithmsTest_GetSpiceDataRawCountsFromMDTest" |
| 1704 | "MDAlgorithmsTest_IntegrateEllipsoidsTest" |
| 1705 | "MDAlgorithmsTest_LoadDNSSCDTest" |
| 1706 | "MDAlgorithmsTest_LoadGaussCubeTest" |
| 1707 | "MDAlgorithmsTest_LoadMDTest" |
| 1708 | "MDAlgorithmsTest_LoadSQW2Test" |
| 1709 | "MDAlgorithmsTest_LoadSQWTest" |
| 1710 | "MantidQtInterfacesDirectTestQt5_ALFInstrumentModelTest" |
| 1711 | "MantidQtInterfacesIndirectTestQt5_ISISEnergyTransferModelTest" |
| 1712 | "MantidQtInterfacesIndirectTestQt5_ISISEnergyTransferModelUtilsTest" |
| 1713 | "MantidQtInterfacesInelasticTestQt5_ElwinModelTest" |
| 1714 | "MantidQtInterfacesMuonTestQt5_ALCDataLoadingPresenterTest" |
| 1715 | "MantidQtWidgetsCommonTestQt5_FindFilesWorkerTest" |
| 1716 | "MantidScientificInterfacesISISReflectometryTestQt5_DecoderTest" |
| 1717 | "MuonTest_AlphaCalcTest" |
| 1718 | "MuonTest_ApplyDeadTimeCorrTest" |
| 1719 | "MuonTest_AsymmetryCalcTest" |
| 1720 | "MuonTest_CalMuonDeadTimeTest" |
| 1721 | "MuonTest_LoadInstrumentFromNexusTest" |
| 1722 | "MuonTest_LoadMuonLogTest" |
| 1723 | "MuonTest_LoadMuonNexus1Test" |
| 1724 | "MuonTest_LoadMuonNexus2Test" |
| 1725 | "MuonTest_LoadMuonNexus3Test" |
| 1726 | "MuonTest_PhaseQuadMuonTest" |
| 1727 | "MuonTest_PlotAsymmetryByLogValueTest" |
| 1728 | "NexusTest_NexusClassesTest" |
| 1729 | "NexusTest_NexusDescriptorLazyTest" |
| 1730 | "NexusTest_NexusDescriptorTest" |
| 1731 | "NexusTest_NexusFileTest" |
| 1732 | "NexusTest_NexusIOHelperTest" |
| 1733 | "PSISINQTest_LoadFlexiNexusTest" |
| 1734 | "ReflectometryTest_CreateTransmissionWorkspaceAuto2Test" |
| 1735 | "ReflectometryTest_ReflectometryReductionOneAuto2Test" |
| 1736 | "ReflectometryTest_ReflectometryReductionOneAuto3Test" |
| 1737 | "WorkflowAlgorithmsTest_AlignAndFocusPowderTest" |
| 1738 | "WorkflowAlgorithmsTest_ExtractQENSMembersTest" |
| 1739 | "WorkflowAlgorithmsTest_LoadEventAndCompressTest" |
| 1740 | "WorkflowAlgorithmsTest_MuonProcessTest" |
| 1741 | "WorkflowAlgorithmsTest_SANSSolidAngleCorrectionTest" |
| 1742 | |
| 1743 | "python.algorithms.Abins2DBasicTest.Abins2DBasicTest" |
| 1744 | "python.algorithms.SaveReflectionsTest.SaveReflectionsTest" |
| 1745 | "python.api.WorkspaceHistoryTest.WorkspaceHistoryTest"
|
| 1746 | "mantidqt_qt5.test_samplelogs_model.test_samplelogs_model" |
| 1747 | "workbench.test_workspacewidget.test_workspacewidget"
|
| 1748 | "python.Calibration.test_tube.test_tube"
|
| 1749 | "python.Calibration.test_tube_calib.test_tube_calib"
|
| 1750 | "python.Calibration.tofpd.test_diagnostics.test_diagnostics" |
| 1751 | "python.DNSReductionQt5.dns_file_test.dns_file_test" |
| 1752 | "python.Engineering.test_pawley_utils.test_pawley_utils" |
| 1753 | "python.EngineeringDiffraction.test_gsas2_model.test_gsas2_model" |
| 1754 | "python.IsisPowder.ISISPowderAbstractInstrumentTest.ISISPowderAbstractInstrumentTest" |
| 1755 | "python.IsisPowder.ISISPowderCommonTest.ISISPowderCommonTest"
|
| 1756 | "python.MuonQt5.corrections_model_test.corrections_model_test" |
| 1757 | "python.MuonQt5.dead_time_corrections_model_test.dead_time_corrections_model_test" |
| 1758 | "python.MuonQt5.fft_presenter_context_interaction_test.fft_presenter_context_interaction_test" |
| 1759 | "python.MuonQt5.home_runinfo_presenter_test.home_runinfo_presenter_test" |
| 1760 | "python.MuonQt5.load_utils_test.load_utils_test" |
| 1761 | "python.MuonQt5.loadfile_model_test.loadfile_model_test" |
| 1762 | "python.MuonQt5.loadwidget_presenter_multiple_file_test.loadwidget_presenter_multiple_file_test" |
| 1763 | "python.MuonQt5.loadwidget_presenter_test.loadwidget_presenter_test" |
| 1764 | "python.MuonQt5.max_ent_presenter_load_interaction_test.max_ent_presenter_load_interaction_test" |
| 1765 | "python.MuonQt5.muon_context_test.muon_context_test" |
| 1766 | "python.MuonQt5.muon_context_with_frequency_test.muon_context_with_frequency_test" |
| 1767 | "python.MuonQt5.muon_data_context_test.muon_data_context_test" |
| 1768 | "python.MuonQt5.results_tab_model_test.results_tab_model_test" |
| 1769 | "python.MuonQt5.workspace_naming_test.workspace_naming_test" |
| 1770 | "python.SANS.SANSadd2Test.SANSadd2Test"
|
| 1771 | "python.SANS.algorithm_detail.calculate_sans_transmission_test.calculate_sans_transmission_test"
|
| 1772 | "python.SANS.algorithm_detail.calculate_transmission_helper_test.calculate_transmission_helper_test"
|
| 1773 | "python.SANS.algorithm_detail.create_sans_adjustment_workspaces_test.create_sans_adjustment_workspaces_test"
|
| 1774 | "python.SANS.algorithm_detail.crop_helper_test.crop_helper_test"
|
| 1775 | "python.SANS.algorithm_detail.mask_sans_workspace_test.mask_sans_workspace_test"
|
| 1776 | "python.SANS.command_interface.command_interface_state_director_test.command_interface_state_director_test" |
| 1777 | "python.SimpleAPILoadTest.SimpleAPILoadTest" |
| 1778 | "python.WorkflowAlgorithms.ApplyPaalmanPingsCorrectionTest.ApplyPaalmanPingsCorrectionTest" |
| 1779 | "python.WorkflowAlgorithms.BayesQuasi2Test.BayesQuasi2Test" |
| 1780 | "python.WorkflowAlgorithms.BayesQuasiTest.BayesQuasiTest" |
| 1781 | "python.WorkflowAlgorithms.BayesStretch2Test.BayesStretch2Test" |
| 1782 | "python.WorkflowAlgorithms.BayesStretchTest.BayesStretchTest" |
| 1783 | "python.WorkflowAlgorithms.CalculateMonteCarloAbsorptionTest.CalculateMonteCarloAbsorptionTest" |
| 1784 | "python.WorkflowAlgorithms.D4ILLReductionTest.D4ILLReductionTest" |
| 1785 | "python.WorkflowAlgorithms.D7AbsoluteCrossSectionsTest.D7AbsoluteCrossSectionsTest" |
| 1786 | "python.WorkflowAlgorithms.D7YIGPositionCalibrationTest.D7YIGPositionCalibrationTest" |
| 1787 | "python.WorkflowAlgorithms.DirectILLAutoProcessTest.DirectILLAutoProcessTest"
|
| 1788 | "python.WorkflowAlgorithms.DirectILLCollectDataTest.DirectILLCollectDataTest" |
| 1789 | "python.WorkflowAlgorithms.EnergyWindowScanTest.EnergyWindowScanTest" |
| 1790 | "python.WorkflowAlgorithms.HFIRPowderReductionTest.HFIRPowderReductionTest" |
| 1791 | "python.WorkflowAlgorithms.ISISIndirectDiffractionReductionTest.ISISIndirectDiffractionReductionTest" |
| 1792 | "python.WorkflowAlgorithms.ISISIndirectEnergyTransferTest.ISISIndirectEnergyTransferTest" |
| 1793 | "python.WorkflowAlgorithms.IndirectAnnulusAbsorption2Test.IndirectAnnulusAbsorption2Test" |
| 1794 | "python.WorkflowAlgorithms.IndirectAnnulusAbsorptionTest.IndirectAnnulusAbsorptionTest" |
| 1795 | "python.WorkflowAlgorithms.IndirectCalibrationTest.IndirectCalibrationTest" |
| 1796 | "python.WorkflowAlgorithms.IndirectCylinderAbsorption2Test.IndirectCylinderAbsorption2Test" |
| 1797 | "python.WorkflowAlgorithms.IndirectCylinderAbsorptionTest.IndirectCylinderAbsorptionTest" |
| 1798 | "python.WorkflowAlgorithms.IndirectDiffScanTest.IndirectDiffScanTest" |
| 1799 | "python.WorkflowAlgorithms.IndirectFlatPlateAbsorption2Test.IndirectFlatPlateAbsorption2Test" |
| 1800 | "python.WorkflowAlgorithms.IndirectFlatPlateAbsorptionTest.IndirectFlatPlateAbsorptionTest" |
| 1801 | "python.WorkflowAlgorithms.IndirectILLEnergyTransferTest.IndirectILLEnergyTransferTest"
|
| 1802 | "python.WorkflowAlgorithms.IndirectILLReductionDIFFTest.IndirectILLReductionDIFFTest"
|
| 1803 | "python.WorkflowAlgorithms.IndirectILLReductionFWSTest.IndirectILLReductionFWSTest"
|
| 1804 | "python.WorkflowAlgorithms.IndirectILLReductionQENSTest.IndirectILLReductionQENSTest"
|
| 1805 | "python.WorkflowAlgorithms.IndirectReplaceFitResultTest.IndirectReplaceFitResultTest" |
| 1806 | "python.WorkflowAlgorithms.IndirectResolutionTest.IndirectResolutionTest" |
| 1807 | "python.WorkflowAlgorithms.IndirectSampleChangerTest.IndirectSampleChangerTest"
|
| 1808 | "python.WorkflowAlgorithms.IndirectTransmissionMonitorTest.IndirectTransmissionMonitorTest" |
| 1809 | "python.WorkflowAlgorithms.IndirectTwoPeakFitTest.IndirectTwoPeakFitTest"
|
| 1810 | "python.WorkflowAlgorithms.IqtFitMultipleTest.IqtFitMultipleTest" |
| 1811 | "python.WorkflowAlgorithms.IqtFitSequentialTest.IqtFitSequentialTest" |
| 1812 | "python.WorkflowAlgorithms.LagrangeILLReductionTest.LagrangeILLReductionTest" |
| 1813 | "python.WorkflowAlgorithms.LoadWANDTest.LoadWANDTest" |
| 1814 | "python.WorkflowAlgorithms.MDNormSCDPreprocessIncoherentTest.MDNormSCDPreprocessIncoherentTest"
|
| 1815 | "python.WorkflowAlgorithms.OSIRISDiffractionReductionTest.OSIRISDiffractionReductionTest" |
| 1816 | "python.WorkflowAlgorithms.PaalmanPingsMonteCarloAbsorptionTest.PaalmanPingsMonteCarloAbsorptionTest" |
| 1817 | "python.WorkflowAlgorithms.PolDiffILLReductionTest.PolDiffILLReductionTest"
|
| 1818 | "python.WorkflowAlgorithms.PowderILLDetectorScanTest.PowderILLDetectorScanTest"
|
| 1819 | "python.WorkflowAlgorithms.PowderILLParameterScanTest.PowderILLParameterScanTest"
|
| 1820 | "python.WorkflowAlgorithms.QuickBayesHelperTest.QuickBayesHelperTest" |
| 1821 | "python.WorkflowAlgorithms.ReflectometryILLAutoProcessTest.ReflectometryILLAutoProcessTest"
|
| 1822 | "python.WorkflowAlgorithms.ReflectometryILLConvertToQTest.ReflectometryILLConvertToQTest" |
| 1823 | "python.WorkflowAlgorithms.ReflectometryILLPolarizationCorTest.ReflectometryILLPolarizationCorTest" |
| 1824 | "python.WorkflowAlgorithms.ReflectometryILLPreprocessTest.ReflectometryILLPreprocessTest" |
| 1825 | "python.WorkflowAlgorithms.ReflectometryILLSumForegroundTest.ReflectometryILLSumForegroundTest" |
| 1826 | "python.WorkflowAlgorithms.ReflectometryISISCalibrationTest.ReflectometryISISCalibrationTest" |
| 1827 | "python.WorkflowAlgorithms.ReflectometryISISCreateTransmissionTest.ReflectometryISISCreateTransmissionTest"
|
| 1828 | "python.WorkflowAlgorithms.ReflectometryISISLoadAndProcessTest.ReflectometryISISLoadAndProcessTest" |
| 1829 | "python.WorkflowAlgorithms.ReflectometryISISPreprocessTest.ReflectometryISISPreprocessTest" |
| 1830 | "python.WorkflowAlgorithms.ResNorm2Test.ResNorm2Test" |
| 1831 | "python.WorkflowAlgorithms.SANSDarkRunBackgroundCorrectionTest.SANSDarkRunBackgroundCorrectionTest" |
| 1832 | "python.WorkflowAlgorithms.SANSILLAutoProcessTest.SANSILLAutoProcessTest"
|
| 1833 | "python.WorkflowAlgorithms.SANSILLIntegrationTest.SANSILLIntegrationTest"
|
| 1834 | "python.WorkflowAlgorithms.SANSILLMultiProcessTest.SANSILLMultiProcessTest"
|
| 1835 | "python.WorkflowAlgorithms.SANSILLParameterScanTest.SANSILLParameterScanTest" |
| 1836 | "python.WorkflowAlgorithms.SANSILLReduction2Test.SANSILLReduction2Test"
|
| 1837 | "python.WorkflowAlgorithms.SANSILLReductionTest.SANSILLReductionTest"
|
| 1838 | "python.WorkflowAlgorithms.SimpleShapeDiscusInelasticTest.SimpleShapeDiscusInelasticTest" |
| 1839 | "python.WorkflowAlgorithms.SimpleShapeMonteCarloAbsorptionTest.SimpleShapeMonteCarloAbsorptionTest" |
| 1840 | "python.WorkflowAlgorithms.SimulatedDensityOfStatesTest.SimulatedDensityOfStatesTest" |
| 1841 | "python.WorkflowAlgorithms.SofQWMomentsScanTest.SofQWMomentsScanTest"
|
| 1842 | "python.WorkflowAlgorithms.SofQWMomentsTest.SofQWMomentsTest"
|
| 1843 | "python.WorkflowAlgorithms.SwapWidthsTest.SwapWidthsTest" |
| 1844 | "python.WorkflowAlgorithms.TOSCABankCorrectionTest.TOSCABankCorrectionTest" |
| 1845 | "python.WorkflowAlgorithms.TimeSliceTest.TimeSliceTest" |
| 1846 | "python.WorkflowAlgorithms.TransformToIqtTest.TransformToIqtTest"
|
| 1847 | "python.WorkflowAlgorithms.VesuvioDiffractionReductionTest.VesuvioDiffractionReductionTest" |
| 1848 | "python.algorithms.Abins2BasicTest.Abins2BasicTest" |
| 1849 | "python.algorithms.AbinsAdvancedParametersTest.AbinsAdvancedParametersTest"
|
| 1850 | "python.algorithms.AbinsBasicTest.AbinsBasicTest" |
| 1851 | "python.algorithms.AngularAutoCorrelationsSingleAxisTest.AngularAutoCorrelationsSingleAxisTest" |
| 1852 | "python.algorithms.AngularAutoCorrelationsTwoAxesTest.AngularAutoCorrelationsTwoAxesTest" |
| 1853 | "python.algorithms.AnstoCommonSearchTest.AnstoCommonSearchTest" |
| 1854 | "python.algorithms.ApplyDetectorScanEffCorrTest.ApplyDetectorScanEffCorrTest" |
| 1855 | "python.algorithms.CalculateEfficiencyCorrectionTest.CalculateEfficiencyCorrectionTest" |
| 1856 | "python.algorithms.CheckForSampleLogsTest.CheckForSampleLogsTest" |
| 1857 | "python.algorithms.ConvertQtoHKLMDHistoTest.ConvertQtoHKLMDHistoTest" |
| 1858 | "python.algorithms.CorrectLogTimesTest.CorrectLogTimesTest" |
| 1859 | "python.algorithms.CreateLeBailFitInputTest.CreateLeBailFitInputTest" |
| 1860 | "python.algorithms.DakotaChiSquaredTest.DakotaChiSquaredTest" |
| 1861 | "python.algorithms.EnggCalibrateFullTest.EnggCalibrateFullTest" |
| 1862 | "python.algorithms.EnggCalibrateTest.EnggCalibrateTest" |
| 1863 | "python.algorithms.EnggFocusTest.EnggFocusTest" |
| 1864 | "python.algorithms.EnggVanadiumCorrectionsTest.EnggVanadiumCorrectionsTest" |
| 1865 | "python.algorithms.FilterLogByTimeTest.FilterLogByTimeTest" |
| 1866 | "python.algorithms.FindGoniometerFromUBTest.FindGoniometerFromUBTest"
|
| 1867 | "python.algorithms.GetEiT0atSNSTest.GetEiT0atSNSTest" |
| 1868 | "python.algorithms.GroupBySampleChangerPositionTest.GroupBySampleChangerPositionTest" |
| 1869 | "python.algorithms.HB2AReduceTest.HB2AReduceTest" |
| 1870 | "python.algorithms.HB3AAdjustSampleNormTest.HB3AAdjustSampleNormTest" |
| 1871 | "python.algorithms.HB3AFindPeaksTest.HB3AFindPeaksTest" |
| 1872 | "python.algorithms.HB3AIntegrateDetectorPeaksTest.HB3AIntegrateDetectorPeaksTest" |
| 1873 | "python.algorithms.HB3AIntegratePeaksTest.HB3AIntegratePeaksTest" |
| 1874 | "python.algorithms.HB3APredictPeaksTest.HB3APredictPeaksTest" |
| 1875 | "python.algorithms.IndexSatellitePeaksTest.IndexSatellitePeaksTest" |
| 1876 | "python.algorithms.LRDirectBeamSortTest.LRDirectBeamSortTest" |
| 1877 | "python.algorithms.LoadAndMergeTest.LoadAndMergeTest"
|
| 1878 | "python.algorithms.LoadDNSLegacyTest.LoadDNSLegacyTest" |
| 1879 | "python.algorithms.LoadEmptyVesuvioTest.LoadEmptyVesuvioTest" |
| 1880 | "python.algorithms.LoadGudrunOutputTest.LoadGudrunOutputTest"
|
| 1881 | "python.algorithms.LoadLampTest.LoadLampTest" |
| 1882 | "python.algorithms.LoadLogPropertyTableTest.LoadLogPropertyTableTest" |
| 1883 | "python.algorithms.LoadNMoldyn3AsciiTest.LoadNMoldyn3AsciiTest" |
| 1884 | "python.algorithms.LoadNMoldyn4Ascii1DTest.LoadNMoldyn4Ascii1DTest"
|
| 1885 | "python.algorithms.LoadNMoldyn4AsciiTest.LoadNMoldyn4AsciiTest"
|
| 1886 | "python.algorithms.LoadSANS1MLZTest.LoadSANS1MLZTest" |
| 1887 | "python.algorithms.LoadWANDSCDTest.LoadWANDSCDTest" |
| 1888 | "python.algorithms.NOMADMedianDetectorTestTest.NOMADMedianDetectorTestTest" |
| 1889 | "python.algorithms.OptimizeCrystalPlacementByRunTest.OptimizeCrystalPlacementByRunTest" |
| 1890 | "python.algorithms.PEARLTransfitTest.PEARLTransfitTest" |
| 1891 | "python.algorithms.PoldiAutoCorrelation6Test.PoldiAutoCorrelation6Test" |
| 1892 | "python.algorithms.RebinRaggedTest.RebinRaggedTest" |
| 1893 | "python.algorithms.RefineSingleCrystalGoniometerTest.RefineSingleCrystalGoniometerTest" |
| 1894 | "python.algorithms.RetrieveRunInfoTest.RetrieveRunInfoTest"
|
| 1895 | "python.algorithms.SNSPowderReductionTest.SNSPowderReductionTest"
|
| 1896 | "python.algorithms.SaveGEMMAUDParamFileTest.SaveGEMMAUDParamFileTest" |
| 1897 | "python.algorithms.SelectNexusFilesByMetadataTest.SelectNexusFilesByMetadataTest" |
| 1898 | "python.algorithms.SetDetScaleTest.SetDetScaleTest" |
| 1899 | "python.algorithms.SetSampleFromLogsTest.SetSampleFromLogsTest" |
| 1900 | "python.algorithms.SortByQVectorsTest.SortByQVectorsTest" |
| 1901 | "python.algorithms.TOFTOFCropWorkspaceTest.TOFTOFCropWorkspaceTest" |
| 1902 | "python.algorithms.TOFTOFMergeRunsTest.TOFTOFMergeRunsTest" |
| 1903 | "python.algorithms.VelocityAutoCorrelationsTest.VelocityAutoCorrelationsTest" |
| 1904 | "python.algorithms.VelocityCrossCorrelationsTest.VelocityCrossCorrelationsTest" |
| 1905 | "python.api.AlgorithmTest.AlgorithmTest" |
| 1906 | "python.api.FileFinderTest.FileFinderTest" |
| 1907 | "python.api.ITableWorkspaceTest.ITableWorkspaceTest" |
| 1908 | "python.api.MultipleFilePropertyTest.MultipleFilePropertyTest" |
| 1909 | "python.corelli.calibration.test_bank.test_bank"
|
| 1910 | "python.corelli.calibration.test_database.test_database"
|
| 1911 | "python.corelli.calibration.test_utils.test_utils" |
| 1912 | "python.dataobjects.SpecialWorkspace2DTest.SpecialWorkspace2DTest"
|
| 1913 | "python.dataobjects.Workspace2DPickleTest.Workspace2DPickleTest" |
| 1914 | "python.directtools.DirectToolsTest.DirectToolsTest" |
| 1915 | "python.plots.datafunctionsTest.datafunctionsTest" |
| 1916 | "python.scripts.ConvertToWavelengthTest.ConvertToWavelengthTest"
|
| 1917 | "python.scripts.DirectEnergyConversionTest.DirectEnergyConversionTest" |
| 1918 | "python.scripts.DirectPropertyManagerTest.DirectPropertyManagerTest" |
| 1919 | "python.scripts.IndirectReductionCommonTest.IndirectReductionCommonTest" |
| 1920 | "python.scripts.ReductionWrapperTest.ReductionWrapperTest"
|
| 1921 | "python.scripts.ReflectometryQuickAuxiliaryTest.ReflectometryQuickAuxiliaryTest"
|
| 1922 | "python.scripts.RunDescriptorTest.RunDescriptorTest" |
| 1923 | "python.scripts.SANSDarkRunCorrectionTest.SANSDarkRunCorrectionTest" |
| 1924 | "python.scripts.SANSUtilityTest.SANSUtilityTest"
|
| 1925 | "python.utils.absorptioncorrutilsTest.absorptioncorrutilsTest" |
| 1926 | "python.scripts.AbinsAlgorithmTest.AbinsAlgorithmTest" |
| 1927 | "python.scripts.AbinsCalculateSPowderTest.AbinsCalculateSPowderTest"
|
| 1928 | "python.scripts.AbinsDataTest.AbinsDataTest" |
| 1929 | "python.scripts.AbinsLoadCASTEPTest.AbinsLoadCASTEPTest" |
| 1930 | "python.scripts.AbinsLoadCRYSTALTest.AbinsLoadCRYSTALTest"
|
| 1931 | "python.scripts.AbinsLoadDMOL3Test.AbinsLoadDMOL3Test"
|
| 1932 | "python.scripts.AbinsLoadGAUSSIANTest.AbinsLoadGAUSSIANTest"
|
| 1933 | "python.scripts.AbinsLoadJSONTest.AbinsLoadJSONTest"
|
| 1934 | "python.scripts.AbinsLoadMoldenTest.AbinsLoadMoldenTest"
|
| 1935 | "python.scripts.AbinsLoadPhonopyTest.AbinsLoadPhonopyTest"
|
| 1936 | "python.scripts.AbinsLoadVASPTest.AbinsLoadVASPTest" |
| 1937 | "python.scripts.AbinsPowderCalculatorTest.AbinsPowderCalculatorTest"
|
| 1938 | "python.algorithms.PEARLTransfitV2Test.PEARLTransfitV2Test" |
| 1939 | "python.IsisPowder.ISISPowderGemOutputTest.ISISPowderGemOutputTest" |
| 1940 | "python.IsisPowder.ISISPowderRunDetailsTest.ISISPowderRunDetailsTest" |
| 1941 | "python.SANS.SANSReducerTest.SANSReducerTest" |
| 1942 | "python.SANS.SansIsisGuiSettings.SansIsisGuiSettings" |
| 1943 | "python.SANS.command_interface.batch_csv_file_parser_test.batch_csv_file_parser_test" |
| 1944 | "python.algorithms.GenerateLogbookTest.GenerateLogbookTest"
|
| 1945 | "python.algorithms.LoadMultipleGSSTest.LoadMultipleGSSTest"
|
| 1946 | "python.WorkflowAlgorithms.MolDynTest.MolDynTest" |
| 1947 | "python.WorkflowAlgorithms.ReflectometryILL_commonTest.ReflectometryILL_commonTest" |
| 1948 | "python.DNSReductionQt5.tof_powder_plot_presenter_test.tof_powder_plot_presenter_test"
|
| 1949 | "python.MuonQt5.add_raw_plots_test.add_raw_plots_test"
|
| 1950 | "python.EngineeringDiffraction.engineering_diffraction_io_test.engineering_diffraction_io_test" |
| 1951 | "PythonSANS.file_information_test.file_information_test"
|
| 1952 | "PythonSANS.xml_parsing_test.xml_parsing_test"
|
| 1953 | "PythonSANSQt5.create_state_test.create_state_test" |
| 1954 | "PythonSANSQt5.diagnostics_page_model_test.diagnostics_page_model_test"
|
| 1955 | "PythonSANSQt5.gui_state_director_test.gui_state_director_test"
|
| 1956 | "PythonSANSQt5.test_run_tab_presenter.test_run_tab_presenter"
|
| 1957 | "PythonTOFTOFReductionQt5.TOFTOFScriptElementTest.TOFTOFScriptElementTest" |
| 1958 | "mantidqt_qt5.test_projectparser_mantidplot.test_projectparser_mantidplot" |
| 1959 | "mantidqt_qt5.test_sample_shape.test_sample_shape" |
| 1960 | "mantidqt_qt5.test_tableworkspacedisplay_io.test_tableworkspacedisplay_io" |
| 1961 | "workbench.test_toolbar.test_toolbar" |
| 1962 | |
| 1963 | "mantidqt_qt5.test_interpreter.test_interpreter"
|
| 1964 | |
| 1965 | |
| 1966 | "mantidqt_qt5.test_codeeditor.test_codeeditor"
|
| 1967 | |
| 1968 | |
| 1969 | |
| 1970 | |
| 1971 | |
| 1972 | |
| 1973 | |
| 1974 | |
| 1975 | "mantidqt_qt5.test_matrixworkspacedisplay_delegate.test_matrixworkspacedisplay_delegate"
|
| 1976 | |
| 1977 | "mantidqt_qt5.test_apply_all_properties.test_apply_all_properties"
|
| 1978 | "python.MuonQt5.MultiPlotWidget_test.MultiPlotWidget_test"
|
| 1979 | "python.MuonQt5.muon_analysis_plot_widget_test.muon_analysis_plot_widget_test"
|
| 1980 | "python.DNSReductionQt5.dns_modus_test.dns_modus_test"
|
| 1981 | "python.MuonQt5.frequency_analysis_plot_widget_test.frequency_analysis_plot_widget_test"
|
| 1982 | "mantidqt_qt5.test_samplelogs_view.test_samplelogs_view"
|
| 1983 | "mantidqt_qt5.test_sliceviewer_imageinfowidget.test_sliceviewer_imageinfowidget")
|
| 1984 | "|")))
|
| 1985 | (apply invoke "ctest" "--output-on-failure"
|
| 1986 | "-j" (if parallel-tests?
|
| 1987 | (number->string (parallel-job-count))
|
| 1988 | "1")
|
| 1989 | |
| 1990 | |
| 1991 | |
| 1992 | |
| 1993 | |
| 1994 | |
| 1995 | |
| 1996 | "-L" "UnitTest"
|
| 1997 | "-E" exclude-pattern
|
| 1998 | '()))))))))
|
| 1999 | (native-inputs
|
| 2000 | (list cmake googletest pkg-config python-pytz python-setuptools python-wrapper
|
| 2001 | xorg-server-for-tests python-tzdata))
|
| 2002 | (inputs
|
| 2003 | (list boost
|
| 2004 | eigen
|
| 2005 | glu
|
| 2006 | gsl
|
| 2007 | hdf5
|
| 2008 | jemalloc
|
| 2009 | jsoncpp
|
| 2010 | libjpeg-turbo
|
| 2011 | librdkafka
|
| 2012 | mesa
|
| 2013 | muparser
|
| 2014 | opencascade-occt
|
| 2015 | openssl
|
| 2016 | poco
|
| 2017 | python
|
| 2018 | python-pyqt
|
| 2019 | python-qtpy
|
| 2020 | python-pyqt5-sip
|
| 2021 | python-pyqtwebengine
|
| 2022 | qscintilla-qt5
|
| 2023 | qtbase-5
|
| 2024 | qtsvg-5
|
| 2025 | qttools-5
|
| 2026 | qtwayland-5
|
| 2027 | qtwebengine-5
|
| 2028 | tbb
|
| 2029 | zlib))
|
| 2030 | (propagated-inputs
|
| 2031 | (list python-annotated-types
|
| 2032 | python-dateutil
|
| 2033 | python-euphonic
|
| 2034 | python-h5py
|
| 2035 | python-ipython-pygments-lexers
|
| 2036 | python-joblib
|
| 2037 | python-lz4
|
| 2038 | python-matplotlib
|
| 2039 | python-mslice
|
| 2040 | python-mvesuvio |
| 2041 | python-numpy
|
| 2042 | python-shiver |
| 2043 | python-orsopy
|
| 2044 | python-psutil
|
| 2045 | python-pycifrw
|
| 2046 | python-pydantic
|
| 2047 | python-pydantic-core
|
| 2048 | python-pystog
|
| 2049 | python-pystack
|
| 2050 | python-pyvista
|
| 2051 | python-pyvistaqt
|
| 2052 | python-pyyaml
|
| 2053 | python-qtconsole
|
| 2054 | python-qtpy
|
| 2055 | python-quasielasticbayes
|
| 2056 | python-quickbayes
|
| 2057 | python-scooby
|
| 2058 | python-scipy
|
| 2059 | python-seekpath
|
| 2060 | python-superqt
|
| 2061 | python-toml
|
| 2062 | vtk))
|
| 2063 | (home-page "https://www.mantidproject.org/")
|
| 2064 | (synopsis "Data analysis framework for neutron and muon experiments")
|
| 2065 | (description
|
| 2066 | "Mantid is a framework for the reduction and analysis of neutron and muon
|
| 2067 | scattering data. It provides a collection of algorithms for data processing,
|
| 2068 | visualization tools, and interfaces for instrument scientists and users at
|
| 2069 | neutron and muon facilities worldwide.
|
| 2070 |
|
| 2071 | Optional GUI extensions such as @code{python-mslice} and @code{python-shiver}
|
| 2072 | appear in the Workbench Interfaces menu when installed alongside Mantid.
|
| 2073 | Script libraries like @code{python-mvesuvio} can be imported in Workbench's
|
| 2074 | script editor.")
|
| 2075 | (license license:gpl3+)))
|