81 lines
1.7 KiB
Nix
81 lines
1.7 KiB
Nix
{
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lib,
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stdenv,
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fetchFromGitHub,
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cmake,
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zlib,
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enablePython ? true,
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addBinToPathHook,
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python3Packages,
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versionCheckHook,
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}:
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stdenv.mkDerivation (finalAttrs: {
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pname = "gemmi";
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version = "0.7.3";
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src = fetchFromGitHub {
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owner = "project-gemmi";
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repo = "gemmi";
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tag = "v${finalAttrs.version}";
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hash = "sha256-T7vmQEP7+3yNkQ7l36xbeLJsm5eYZvt7oRq/ksy6zQU=";
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};
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nativeBuildInputs = [
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cmake
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]
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++ lib.optionals enablePython (
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with python3Packages;
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[
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nanobind
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python
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pythonImportsCheckHook
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]
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);
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buildInputs = [ zlib ];
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cmakeFlags = [
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(lib.cmakeBool "USE_PYTHON" enablePython)
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(lib.cmakeFeature "PYTHON_INSTALL_DIR" "${python3Packages.python.sitePackages}")
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];
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doCheck = true;
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pythonImportsCheck = [ "gemmi" ];
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doInstallCheck = enablePython;
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nativeInstallCheckInputs =
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with python3Packages;
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[
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# biopython
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numpy
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pytestCheckHook
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]
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++ [
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addBinToPathHook
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versionCheckHook
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];
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versionCheckProgramArg = "--version";
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disabledTests = lib.optionals (stdenv.hostPlatform.isLinux && stdenv.hostPlatform.isAarch64) [
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# Numerical precision error
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# self.assertTrue(numpy.allclose(data_f, abs(asu_val), atol=5e-5, rtol=0))
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# AssertionError: False is not true
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"test_reading"
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];
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enabledTestPaths = [ "../tests" ];
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meta = {
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description = "Macromolecular crystallography library and utilities";
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homepage = "https://github.com/project-gemmi/gemmi";
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changelog = "https://github.com/project-gemmi/gemmi/releases/tag/v${finalAttrs.version}";
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license = lib.licenses.mpl20;
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maintainers = with lib.maintainers; [ natsukium ];
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mainProgram = "gemmi";
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platforms = lib.platforms.unix;
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};
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})
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