sasview: 5.0.6 -> 6.1.1 (#449089)

{

  lib,

  stdenv,

  python3,

  fetchFromGitHub,

  wrapQtAppsHook,

  writeShellScriptBin,

  qt6,

  writableTmpDirAsHomeHook,

  ausaxs,

}:

python3.pkgs.buildPythonApplication rec {

let

  version = "6.1.1";

  pyside-tools-uic = writeShellScriptBin "pyside6-uic" ''

    exec ${qt6.qtbase}/libexec/uic -g python "$@"

  '';

  pyside-tools-rcc = writeShellScriptBin "pyside6-rcc" ''

    exec ${qt6.qtbase}/libexec/rcc -g python "$@"

  '';

in

python3.pkgs.buildPythonApplication {

  pname = "sasview";

  version = "5.0.6";

  inherit version;

  pyproject = true;

  src = fetchFromGitHub {

    owner = "SasView";

    repo = "sasview";

    rev = "refs/tags/v${version}";

    hash = "sha256-cwP9VuvO4GPlbAxCqw31xISTi9NoF5RoBQmjWusrnzc=";

    tag = "v${version}";

    hash = "sha256-dc1vr+YFHItCI4NnSa+yF948/t7B6utoSp2ps/J40ys=";

  };

  # AttributeError: module 'numpy' has no attribute 'float'.

  postPatch = ''

    substituteInPlace src/sas/sascalc/pr/p_invertor.py \

      --replace "dtype=np.float)" "dtype=float)"

  '';

  build-system = with python3.pkgs; [

    hatchling

    hatch-build-scripts

    hatch-requirements-txt

    hatch-sphinx

    hatch-vcs

  ];

  nativeBuildInputs = [

    python3.pkgs.pyqt5

    python3.pkgs.setuptools

    wrapQtAppsHook

    qt6.wrapQtAppsHook

    pyside-tools-rcc

    pyside-tools-uic

    python3.pkgs.pyside6

    python3.pkgs.sasdata

    python3.pkgs.sasmodels

  ];

  propagatedBuildInputs = with python3.pkgs; [

  buildInputs = [ qt6.qtbase ];

  dependencies = with python3.pkgs; [

    sasmodels

    siphash24

    bumps

    h5py

    lxml

    columnize

    tccbox

    hatch-sphinx

    sasdata

    matplotlib

    appdirs

    dominate

    html2text

    html5lib

    ipython

    jsonschema

    mako

    numba

    periodictable

    pillow

    pyparsing

    pyqt5

    qt5reactor

    sasmodels

    scipy

    setuptools

    platformdirs

    pybind11

    pylint

    pyopencl

    pyopengl

    pyside6

    pytools

    qtconsole

    superqt

    twisted

    uncertainties

    xhtml2pdf

    zope-interface

  ];

  pythonRemoveDeps = [ "zope" ];

  postBuild = ''

    ${python3.interpreter} src/sas/qtgui/convertUI.py

  '';

    "\${qtWrapperArgs[@]}"

  ];

  nativeCheckInputs = with python3.pkgs; [

  nativeCheckInputs =

    with python3.pkgs;

    [

      pytestCheckHook

      unittest-xml-reporting

    ]

    ++ [

      writableTmpDirAsHomeHook

      ausaxs

    ];

  enabledTestPaths = [

    "test"

  ];

  disabledTests = [

    # NoKnownLoaderException

    "test_invalid_cansas"

    "test_data_reader_exception"

  ];

  disabledTestPaths = [ "test/sascalculator/utest_sas_gen.py::sas_gen_test::test_debye_impl" ];

  preCheck =

    let

      ext = stdenv.hostPlatform.extensions.sharedLibrary;

    in

    ''

      ln -s ${ausaxs}/lib/libausaxs.${ext} src/sas/sascalc/calculator/ausaxs/lib/libausaxs.${ext}

    '';

  meta = {

    description = "Fitting and data analysis for small angle scattering data";

--- a/CMakeLists.txt

+++ b/CMakeLists.txt

@@ -85,7 +85,7 @@

 	set(DLIB_USE_MKL_FFT OFF)

 	set(DLIB_USE_FFMPEG OFF)

 	set(CMAKE_CXX_STANDARD 17) # dlib must be compiled with C++17

-	FetchContent_MakeAvailable(dlib)

+	add_subdirectory(dlib)

 	set(CMAKE_CXX_STANDARD 20) # continue with C++20	

 	add_compile_definitions("DLIB_AVAILABLE")

 endif()

@@ -105,8 +105,9 @@

 	GIT_REPOSITORY https://github.com/klytje/gcem

 )

-FetchContent_MakeAvailable(thread_pool GCEM backward)

-include_directories(${thread_pool_SOURCE_DIR}/include ${gcem_SOURCE_DIR}/include ${backward_SOURCE_DIR})

+add_subdirectory(gcem)

+add_subdirectory(backward)

+include_directories(thread_pool/include gcem/include backward)

 ############################################

 ##           Find and link CURL           ##

--- a/executable/gui/CMakeLists.txt

+++ b/executable/gui/CMakeLists.txt

@@ -6,7 +6,9 @@

 	nfd

 	GIT_REPOSITORY https://github.com/btzy/nativefiledialog-extended.git

 )

-FetchContent_MakeAvailable(elements CLI11 nfd)

+find_package(CLI11 CONFIG REQUIRED)

+add_subdirectory(${CMAKE_SOURCE_DIR}/elements elements_build)

+add_subdirectory(${CMAKE_SOURCE_DIR}/nfd nfd_build)

 # set the path to the elements root & module path

 set(ELEMENTS_ROOT "${elements_SOURCE_DIR}")

--- a/tests/CMakeLists.txt

+++ b/tests/CMakeLists.txt

@@ -18,10 +18,10 @@

 	GIT_TAG 914aeecfe23b1e16af6ea675a4fb5dbd5a5b8d0a

 	GIT_PROGRESS TRUE

 )

-FetchContent_MakeAvailable(Catch2)

+add_subdirectory(${CMAKE_SOURCE_DIR}/catch2 catch2_build)

 # make the tests available through CTest

-list(APPEND CMAKE_MODULE_PATH ${catch2_SOURCE_DIR}/extras)

+list(APPEND CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/catch2/extras)

 include(CTest)

 include(Catch)

--- a/lib/CMakeLists.txt

+++ b/lib/CMakeLists.txt

@@ -229,7 +229,7 @@

   GIT_SUBMODULES_RECURSE ON

 )

-FetchContent_MakeAvailable(cycfi_infra)

+add_subdirectory(${CMAKE_SOURCE_DIR}/cycfi_infra cycfi_infra_build)

 target_link_libraries(elements PUBLIC cycfi::infra)

 ###############################################################################

@@ -270,9 +270,7 @@

 FetchContent_Declare(

   asio

-  GIT_REPOSITORY https://github.com/chriskohlhoff/asio.git

-  GIT_TAG asio-1-29-0

-  GIT_SHALLOW TRUE

+  SOURCE_DIR ${CMAKE_SOURCE_DIR}/asio

 )

 FetchContent_MakeAvailable(asio)

{

  lib,

  stdenv,

  fetchFromGitHub,

  cmake,

  doxygen,

  libwebp,

  curl,

  cli11,

  python3,

  pkg-config,

  cairo,

  gtk3,

}:

let

  dlib = fetchFromGitHub {

    owner = "davisking";

    repo = "dlib";

    tag = "v20.0";

    hash = "sha256-VTX7s0p2AzlvPUsSMXwZiij+UY9g2y+a1YIge9bi0sw=";

  };

  thread-pool = fetchFromGitHub {

    owner = "bshoshany";

    repo = "thread-pool";

    tag = "v5.0.0";

    hash = "sha256-1TTpt6u3NVIMSExl0ttuwH2owQCetujolnR/t8hDMh0=";

  };

  gcem = fetchFromGitHub {

    owner = "klytje";

    repo = "gcem";

    rev = "c5464969d373ed0a763c3562656798d1cc00687f";

    hash = "sha256-bnWakLHl/afpeFm6S32ku0IkniyIs8X+LE1NmV6p0ho=";

  };

  backward-cpp = fetchFromGitHub {

    owner = "bombela";

    repo = "backward-cpp";

    rev = "0bfd0a07a61551413ccd2ab9a9099af3bad40681";

    hash = "sha256-nLH8jfdgzmlUTg6zwY/h0HVnDMeC9rvmX1x4Ithu9dI=";

  };

  catch2 = fetchFromGitHub {

    owner = "catchorg";

    repo = "Catch2";

    rev = "914aeecfe23b1e16af6ea675a4fb5dbd5a5b8d0a";

    hash = "sha256-2gK+CUpml6AaHcwNoq0tHLr2NwqtMPx+jP80/LLFFr4=";

  };

  elements = fetchFromGitHub {

    owner = "cycfi";

    repo = "elements";

    rev = "71ecd1f4ebc76967c6812b1872db639784e40a2d";

    hash = "sha256-F3Dv+QboXfOSaXpbdOeWPtOC8orWGZc8ZBFho/X8Ky8=";

  };

  nfd = fetchFromGitHub {

    owner = "btzy";

    repo = "nativefiledialog-extended";

    tag = "v1.2.1";

    hash = "sha256-GwT42lMZAAKSJpUJE6MYOpSLKUD5o9nSe9lcsoeXgJY=";

  };

  asio = fetchFromGitHub {

    owner = "chriskohlhoff";

    repo = "asio";

    tag = "asio-1-29-0";

    hash = "sha256-5WSrMe9n+8i/ZyvCsa4MMBguYbSz+7FwH0Z5JfHtRGM=";

  };

  cycfi_infra = fetchFromGitHub {

    owner = "cycfi";

    repo = "infra";

    rev = "2dff97a4b107eced78e426152f5001a2331cb1cf";

    hash = "sha256-NmoPYhfsrC5oWFjJ9Ol83sR8aIkyQr6UpaCeZpW58PI=";

    fetchSubmodules = true;

  };

in

stdenv.mkDerivation (finalAttrs: {

  pname = "ausaxs";

  version = "1.1.2";

  src = fetchFromGitHub {

    owner = "AUSAXS";

    repo = "AUSAXS";

    tag = "v${finalAttrs.version}";

    hash = "sha256-83ZgplSZmY/2DZXG1t+/4+gzlv/YusRFeDRqNuie0JA=";

  };

  patches = [ ./cmake-no-fetchcontent.patch ];

  postPatch = ''

    cp --recursive --no-preserve=mode ${dlib} dlib

    cp --recursive --no-preserve=mode ${thread-pool} thread_pool

    cp --recursive --no-preserve=mode ${gcem} gcem

    cp --recursive --no-preserve=mode ${backward-cpp} backward

    cp --recursive --no-preserve=mode ${catch2} catch2

    cp --recursive --no-preserve=mode ${nfd} nfd

    cp --recursive --no-preserve=mode ${elements} elements

    cp --recursive --no-preserve=mode ${asio} asio

    cp --recursive --no-preserve=mode ${cycfi_infra} cycfi_infra

    substituteInPlace executable/CMakeLists.txt \

      --replace-fail "FetchContent_MakeAvailable(CLI11)" "find_package(CLI11 CONFIG REQUIRED)"

    substituteInPlace include/crystal/crystal/miller/MillerGenerationFactory.h \

      --replace-fail "namespace ausaxs::settings::crystal {enum class MillerGenerationChoice;}" '#include "../core/settings/CrystalSettings.h"'

    patch -p1 -d elements < ${./elements-cmake-no-fetchcontent.patch}

    substituteInPlace CMakeLists.txt \

      --replace-fail "-mavx" "${

        lib.optionalString (stdenv.hostPlatform.isx86_64 && stdenv.hostPlatform.isLinux) "-msse3"

      }"

    sed -i '/#include <iostream>/a\

    #include <numbers>' source/crystal/miller/FibonacciMillers.cpp

  '';

  nativeBuildInputs = [

    cmake

    doxygen

    python3

    pkg-config

  ];

  buildInputs = [

    curl

    cli11

    cairo

    libwebp

    gtk3

  ];

  cmakeFlags = [ (lib.cmakeBool "GUI" true) ];

  postInstall = ''

    cp --recursive lib/* $out/lib/

    cp --recursive bin $out/bin

    rm $out/bin/scripts

    cp --recursive ../scripts $out/bin/scripts

  '';

  meta = {

    description = "Small-angle X-ray scattering framework";

    homepage = "https://github.com/AUSAXS/AUSAXS";

    license = lib.licenses.lgpl3Plus;

    maintainers = with lib.maintainers; [ kyehn ];

    platforms = lib.platforms.unix;

  };

})

{

  lib,

  buildPythonPackage,

  fetchFromGitHub,

  hatchling,

  hatch-vcs,

}:

let

  version = "1.0.0";

in

buildPythonPackage {

  pname = "hatch-build-scripts";

  inherit version;

  pyproject = true;

  src = fetchFromGitHub {

    owner = "rmorshea";

    repo = "hatch-build-scripts";

    tag = "v${version}";

    hash = "sha256-umqtfUGmmZ/j/E8JY+s6REmDeTYwbcE1jZ7w4nczazs=";

  };

  build-system = [ hatchling ];

  dependencies = [ hatch-vcs ];

  pythonImportsCheck = [ "hatch_build_scripts" ];

  meta = {

    description = "Plugin for Hatch that runs build scripts and saves their artifacts";

    homepage = "https://github.com/rmorshea/hatch-build-scripts";

    license = lib.licenses.mit;

    maintainers = with lib.maintainers; [ kyehn ];

  };

}