diff --git a/science/ncrystal/Makefile b/science/ncrystal/Makefile
index daa3484255ac..b9cdf4a64ea3 100644
--- a/science/ncrystal/Makefile
+++ b/science/ncrystal/Makefile
@@ -1,26 +1,27 @@
 PORTNAME=	ncrystal
 DISTVERSIONPREFIX=	v
-DISTVERSION=	4.3.4
+DISTVERSION=	4.4.0
 CATEGORIES=	science # physics
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Library for thermal neutron transport in crystals and other materials
 WWW=		https://github.com/mctools/ncrystal
 
 LICENSE=	APACHE20
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 USES=		cmake:testing python:build,test shebangfix
 USE_LDCONFIG=	yes
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	mctools
 
-SHEBANG_FILES=	tests/scripts/*
+SHEBANG_FILES=	tests/scripts/* \
+		tests/cmake/mctools_testlauncher.py
 
 CMAKE_TESTING_ON=	NCRYSTAL_ENABLE_TESTING \
 			NCRYSTAL_ENABLE_CORE_TEST
 
-# tests as of 4.3.4: 100% tests passed, 0 tests failed out of 124
+# tests as of 4.4.0: 99% tests passed, 1 tests failed out of 121, see https://github.com/mctools/ncrystal/issues/355
 
 .include <bsd.port.mk>
diff --git a/science/ncrystal/distinfo b/science/ncrystal/distinfo
index dccabe677297..2e553653cb89 100644
--- a/science/ncrystal/distinfo
+++ b/science/ncrystal/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1776323187
-SHA256 (mctools-ncrystal-v4.3.4_GH0.tar.gz) = 1479a068a278aa81a0dab04b889891691076cdfe472ae03f222caa46e2764cb2
-SIZE (mctools-ncrystal-v4.3.4_GH0.tar.gz) = 3119565
+TIMESTAMP = 1778009624
+SHA256 (mctools-ncrystal-v4.4.0_GH0.tar.gz) = da7b57eed77254d75ee29d8c577d60bf2d9078bed82e64b14aff8949180d31d3
+SIZE (mctools-ncrystal-v4.4.0_GH0.tar.gz) = 3134983
diff --git a/science/ncrystal/pkg-plist b/science/ncrystal/pkg-plist
index 72cb725d6c00..0e5d193dedd6 100644
--- a/science/ncrystal/pkg-plist
+++ b/science/ncrystal/pkg-plist
@@ -1,130 +1,133 @@
 bin/ncrystal-config
 include/NCrystal/NCPluginBoilerplate.hh
 include/NCrystal/NCRNG.hh
 include/NCrystal/NCrystal.hh
 include/NCrystal/cinterface/ncrystal.h
 include/NCrystal/core/NCDefs.hh
 include/NCrystal/core/NCException.hh
 include/NCrystal/core/NCFmt.hh
 include/NCrystal/core/NCImmutBuf.hh
 include/NCrystal/core/NCMem.hh
 include/NCrystal/core/NCSmallVector.hh
 include/NCrystal/core/NCTypes.hh
 include/NCrystal/core/NCVariant.hh
 include/NCrystal/dump/NCDump.hh
 include/NCrystal/factories/NCDataSources.hh
 include/NCrystal/factories/NCFact.hh
 include/NCrystal/factories/NCFactImpl.hh
 include/NCrystal/factories/NCFactRequests.hh
 include/NCrystal/factories/NCFactRequestsImpl.hh
 include/NCrystal/factories/NCFactTypes.hh
 include/NCrystal/factories/NCMatCfg.hh
 include/NCrystal/interfaces/NCAtomData.hh
 include/NCrystal/interfaces/NCInfo.hh
 include/NCrystal/interfaces/NCInfoTypes.hh
 include/NCrystal/interfaces/NCProc.hh
 include/NCrystal/interfaces/NCProcImpl.hh
 include/NCrystal/interfaces/NCRNG.hh
 include/NCrystal/interfaces/NCSABData.hh
 include/NCrystal/interfaces/NCSCOrientation.hh
 include/NCrystal/interfaces/NCVersion.hh
 include/NCrystal/internal/absoov/NCAbsOOV.hh
 include/NCrystal/internal/atomdb/NCAtomDB.hh
 include/NCrystal/internal/atomdb/NCAtomDBExtender.hh
 include/NCrystal/internal/bkgdextcurve/NCBkgdExtCurve.hh
 include/NCrystal/internal/cfgutils/NCCfgManip.hh
 include/NCrystal/internal/cfgutils/NCCfgTypes.hh
 include/NCrystal/internal/cfgutils/NCCfgVars.hh
 include/NCrystal/internal/dyninfoutils/NCDynInfoUtils.hh
 include/NCrystal/internal/elincscatter/NCElIncScatter.hh
 include/NCrystal/internal/extd_utils/NCABIUtils.hh
 include/NCrystal/internal/extd_utils/NCFillHKL.hh
+include/NCrystal/internal/extd_utils/NCInfoUtils.hh
 include/NCrystal/internal/extd_utils/NCLCRefModels.hh
 include/NCrystal/internal/extd_utils/NCLCUtils.hh
 include/NCrystal/internal/extd_utils/NCOrientUtils.hh
 include/NCrystal/internal/extd_utils/NCPlaneProvider.hh
 include/NCrystal/internal/extd_utils/NCProcCompBldr.hh
 include/NCrystal/internal/extd_utils/NCSANSUtils.hh
 include/NCrystal/internal/fact_utils/NCFactoryJobs.hh
 include/NCrystal/internal/fact_utils/NCFactoryUtils.hh
 include/NCrystal/internal/freegas/NCFreeGas.hh
 include/NCrystal/internal/gasmix/NCGasMixUtils.hh
 include/NCrystal/internal/infobld/NCInfoBuilder.hh
 include/NCrystal/internal/lcbragg/NCLCBragg.hh
 include/NCrystal/internal/minimc/NCMMC_Baskets.hh
 include/NCrystal/internal/minimc/NCMMC_CBMgr.hh
 include/NCrystal/internal/minimc/NCMMC_Defs.hh
 include/NCrystal/internal/minimc/NCMMC_EngineOpts.hh
 include/NCrystal/internal/minimc/NCMMC_Geom.hh
 include/NCrystal/internal/minimc/NCMMC_Query.hh
 include/NCrystal/internal/minimc/NCMMC_RunSim.hh
 include/NCrystal/internal/minimc/NCMMC_SimEngine.hh
 include/NCrystal/internal/minimc/NCMMC_SimMgr.hh
 include/NCrystal/internal/minimc/NCMMC_Source.hh
 include/NCrystal/internal/minimc/NCMMC_StdTallies.hh
 include/NCrystal/internal/minimc/NCMMC_Tally.hh
 include/NCrystal/internal/minimc/NCMMC_Utils.hh
 include/NCrystal/internal/ncmat/NCLoadNCMAT.hh
 include/NCrystal/internal/ncmat/NCNCMATData.hh
 include/NCrystal/internal/ncmat/NCParseNCMAT.hh
 include/NCrystal/internal/phys_utils/NCDebyeMSD.hh
 include/NCrystal/internal/phys_utils/NCElIncXS.hh
 include/NCrystal/internal/phys_utils/NCEqRefl.hh
 include/NCrystal/internal/phys_utils/NCFreeGasUtils.hh
 include/NCrystal/internal/phys_utils/NCGaussMos.hh
 include/NCrystal/internal/phys_utils/NCGaussOnSphere.hh
 include/NCrystal/internal/phys_utils/NCIofQHelper.hh
 include/NCrystal/internal/phys_utils/NCKinUtils.hh
 include/NCrystal/internal/powderbragg/NCPowderBragg.hh
 include/NCrystal/internal/query/NCQuery.hh
 include/NCrystal/internal/sab/NCSABEval.hh
 include/NCrystal/internal/sab/NCSABExtender.hh
 include/NCrystal/internal/sab/NCSABFactory.hh
 include/NCrystal/internal/sab/NCSABIntegrator.hh
+include/NCrystal/internal/sab/NCSABRefEval.hh
 include/NCrystal/internal/sab/NCSABSampler.hh
 include/NCrystal/internal/sab/NCSABSamplerModels.hh
 include/NCrystal/internal/sab/NCSABScatterHelper.hh
 include/NCrystal/internal/sab/NCSABUCN.hh
 include/NCrystal/internal/sab/NCSABUtils.hh
 include/NCrystal/internal/sab/NCSABXSProvider.hh
 include/NCrystal/internal/sab/NCScatKnlData.hh
 include/NCrystal/internal/sabscatter/NCSABScatter.hh
 include/NCrystal/internal/sanshardsphere/NCSANSSphScat.hh
 include/NCrystal/internal/scbragg/NCSCBragg.hh
 include/NCrystal/internal/utils/NCAtomUtils.hh
 include/NCrystal/internal/utils/NCCFileUtils.hh
 include/NCrystal/internal/utils/NCDynLoader.hh
 include/NCrystal/internal/utils/NCFastConvolve.hh
 include/NCrystal/internal/utils/NCFileUtils.hh
 include/NCrystal/internal/utils/NCHists.hh
 include/NCrystal/internal/utils/NCIter.hh
 include/NCrystal/internal/utils/NCLatticeUtils.hh
 include/NCrystal/internal/utils/NCMath.hh
 include/NCrystal/internal/utils/NCMatrix.hh
 include/NCrystal/internal/utils/NCMsg.hh
 include/NCrystal/internal/utils/NCPointwiseDist.hh
 include/NCrystal/internal/utils/NCRandUtils.hh
 include/NCrystal/internal/utils/NCRomberg.hh
 include/NCrystal/internal/utils/NCRotMatrix.hh
 include/NCrystal/internal/utils/NCSpan.hh
 include/NCrystal/internal/utils/NCSpline.hh
 include/NCrystal/internal/utils/NCStrView.hh
 include/NCrystal/internal/utils/NCString.hh
 include/NCrystal/internal/utils/NCVector.hh
+include/NCrystal/internal/vdos/NCVDOSCache.hh
 include/NCrystal/internal/vdos/NCVDOSEval.hh
 include/NCrystal/internal/vdos/NCVDOSGn.hh
 include/NCrystal/internal/vdos/NCVDOSToScatKnl.hh
 include/NCrystal/misc/NCCompositionUtils.hh
 include/NCrystal/misc/NCMsgCtrl.hh
 include/NCrystal/ncapi.h
 include/NCrystal/ncrystal.h
 include/NCrystal/plugins/NCPluginMgmt.hh
 include/NCrystal/text/NCTextData.hh
 include/NCrystal/threads/NCFactThreads.hh
 include/NCrystal/virtualapi/NCVirtAPIFactory.hh
 include/NCrystal/virtualapi/NCVirtAPI_Type1_v1.hh
 lib/cmake/NCrystal/NCrystalConfig.cmake
 lib/cmake/NCrystal/NCrystalConfigVersion.cmake
 lib/cmake/NCrystal/NCrystalTargets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/NCrystal/NCrystalTargets.cmake
 lib/libNCrystal.so
diff --git a/science/py-ncrystal/Makefile b/science/py-ncrystal/Makefile
index 563c4e3c3d95..4504faff2fde 100644
--- a/science/py-ncrystal/Makefile
+++ b/science/py-ncrystal/Makefile
@@ -1,40 +1,39 @@
 PORTNAME=	ncrystal
 DISTVERSIONPREFIX=	v
-DISTVERSION=	4.3.4
-PORTREVISION=	1
+DISTVERSION=	4.4.0
 CATEGORIES=	science # physics
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Library for thermal neutron transport in crystals and other materials
 WWW=		https://mctools.github.io/ncrystal/
 
 LICENSE=	APACHE20
 LICENSE_FILE=	${WRKSRC}/LICENSE
 
 BUILD_DEPENDS=	${PY_SETUPTOOLS} \
 		${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}scikit-build-core>0:devel/py-scikit-build-core@${PY_FLAVOR} \
 		cmake:devel/cmake-core
 RUN_DEPENDS=	${PYTHON_PKGNAMEPREFIX}numpy>=1.16:math/py-numpy@${PY_FLAVOR}
 
 USES=		python
 USE_PYTHON=	pep517 concurrent autoplist
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	mctools
 
 TEST_ENV=	${MAKE_ENV} \
 		PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR} \
 		PATH=${STAGEDIR}${PREFIX}/bin:${PATH}
 #TEST_WRKSRC=	${WRKSRC}/ncrystal_python
 
 post-install:
 	# strip binary
 	#@${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/NCrystal/ncrystal_pyinst_data/lib/libNCrystal.so
 
 do-test:
 	@cd ${TEST_WRKSRC} && \
 		${SETENV} ${TEST_ENV} ${PYTHON_CMD} -m NCrystal.test all
 
 .include <bsd.port.mk>
diff --git a/science/py-ncrystal/distinfo b/science/py-ncrystal/distinfo
index d07f87caf816..5bd41a74967d 100644
--- a/science/py-ncrystal/distinfo
+++ b/science/py-ncrystal/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1776323174
-SHA256 (mctools-ncrystal-v4.3.4_GH0.tar.gz) = 1479a068a278aa81a0dab04b889891691076cdfe472ae03f222caa46e2764cb2
-SIZE (mctools-ncrystal-v4.3.4_GH0.tar.gz) = 3119565
+TIMESTAMP = 1778010025
+SHA256 (mctools-ncrystal-v4.4.0_GH0.tar.gz) = da7b57eed77254d75ee29d8c577d60bf2d9078bed82e64b14aff8949180d31d3
+SIZE (mctools-ncrystal-v4.4.0_GH0.tar.gz) = 3134983