Date: Wed, 8 Nov 2023 03:56:46 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 88fff0726eb0 - main - science/ncrystal: New port: Library for thermal neutron transport in crystals and other materials Message-ID: <202311080356.3A83ukto090471@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=88fff0726eb04171fd3ec25018836e356c704770 commit 88fff0726eb04171fd3ec25018836e356c704770 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2023-11-07 22:05:14 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2023-11-08 03:56:42 +0000 science/ncrystal: New port: Library for thermal neutron transport in crystals and other materials --- science/Makefile | 1 + science/ncrystal/Makefile | 26 +++++ science/ncrystal/distinfo | 3 + science/ncrystal/pkg-descr | 7 ++ science/ncrystal/pkg-plist | 272 +++++++++++++++++++++++++++++++++++++++++++++ 5 files changed, 309 insertions(+) diff --git a/science/Makefile b/science/Makefile index 38e7d519790b..b4b719897c39 100644 --- a/science/Makefile +++ b/science/Makefile @@ -204,6 +204,7 @@ SUBDIR += multiwfn SUBDIR += mutationpp SUBDIR += namd + SUBDIR += ncrystal SUBDIR += nest SUBDIR += netcdf SUBDIR += netcdf-cxx diff --git a/science/ncrystal/Makefile b/science/ncrystal/Makefile new file mode 100644 index 000000000000..40ba3d2e3394 --- /dev/null +++ b/science/ncrystal/Makefile @@ -0,0 +1,26 @@ +PORTNAME= ncrystal +DISTVERSIONPREFIX= v +DISTVERSION= 3.7.1 +CATEGORIES= science # physics + +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= ${WRKSRC}/LICENSE + +USES= cmake python shebangfix +USE_LDCONFIG= yes + +USE_GITHUB= yes +GH_ACCOUNT= mctools + +SHEBANG_FILES= scripts/* \ + cmake/ncrystal-config.in \ + ncrystal_mcstas/ncrystal_preparemcstasdir + +post-install: # workaround for https://github.com/mctools/ncrystal/issues/150 + @${RM} ${STAGEDIR}${PREFIX}/*.sh + +.include <bsd.port.mk> diff --git a/science/ncrystal/distinfo b/science/ncrystal/distinfo new file mode 100644 index 000000000000..6e0e9a659c6a --- /dev/null +++ b/science/ncrystal/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1699390662 +SHA256 (mctools-ncrystal-v3.7.1_GH0.tar.gz) = ce523dd3aca1d0fd1989cd4d48cc3e2ce90590c47e219e2f2394677c63a87076 +SIZE (mctools-ncrystal-v3.7.1_GH0.tar.gz) = 1839587 diff --git a/science/ncrystal/pkg-descr b/science/ncrystal/pkg-descr new file mode 100644 index 000000000000..11f0f875bc5d --- /dev/null +++ b/science/ncrystal/pkg-descr @@ -0,0 +1,7 @@ +NCrystal is a library and associated tools which enables calculations for +Monte Carlo simulations of thermal neutrons in crystals and other materials, +supporting a range of physics including both coherent, incoherent, elastic and +inelastic scatterings in a wide range of materials, including crystal powders, +mosaic single crystals, layered single crystals, amorphous solids, liquids, and +gasses. Multiphase materials or isotopically enriched materials are supported as +well, and the framework furthermore supports phase-contrast (SANS) physics. diff --git a/science/ncrystal/pkg-plist b/science/ncrystal/pkg-plist new file mode 100644 index 000000000000..514ee5f7f029 --- /dev/null +++ b/science/ncrystal/pkg-plist @@ -0,0 +1,272 @@ +bin/ncrystal-config +bin/ncrystal_cif2ncmat +bin/ncrystal_endf2ncmat +bin/ncrystal_hfg2ncmat +bin/ncrystal_inspectfile +bin/ncrystal_ncmat2cpp +bin/ncrystal_ncmat2hkl +bin/ncrystal_onlinedb2ncmat +bin/ncrystal_preparemcstasdir +bin/ncrystal_vdos2ncmat +bin/ncrystal_verifyatompos +bin/nctool +include/NCrystal/NCAtomData.hh +include/NCrystal/NCCompositionUtils.hh +include/NCrystal/NCDataSources.hh +include/NCrystal/NCDefs.hh +include/NCrystal/NCDump.hh +include/NCrystal/NCException.hh +include/NCrystal/NCFact.hh +include/NCrystal/NCFactImpl.hh +include/NCrystal/NCFactRequests.hh +include/NCrystal/NCFactTypes.hh +include/NCrystal/NCFmt.hh +include/NCrystal/NCImmutBuf.hh +include/NCrystal/NCInfo.hh +include/NCrystal/NCInfoBuilder.hh +include/NCrystal/NCInfoTypes.hh +include/NCrystal/NCLoadNCMAT.hh +include/NCrystal/NCMatCfg.hh +include/NCrystal/NCMem.hh +include/NCrystal/NCNCMATData.hh +include/NCrystal/NCParseNCMAT.hh +include/NCrystal/NCPluginBoilerplate.hh +include/NCrystal/NCPluginMgmt.hh +include/NCrystal/NCProc.hh +include/NCrystal/NCProcImpl.hh +include/NCrystal/NCRNG.hh +include/NCrystal/NCSABData.hh +include/NCrystal/NCSCOrientation.hh +include/NCrystal/NCSmallVector.hh +include/NCrystal/NCTextData.hh +include/NCrystal/NCTypes.hh +include/NCrystal/NCVariant.hh +include/NCrystal/NCVersion.hh +include/NCrystal/NCrystal.hh +include/NCrystal/internal/NCAbsOOV.hh +include/NCrystal/internal/NCAtomDB.hh +include/NCrystal/internal/NCAtomDBExtender.hh +include/NCrystal/internal/NCAtomUtils.hh +include/NCrystal/internal/NCBkgdExtCurve.hh +include/NCrystal/internal/NCCfgManip.hh +include/NCrystal/internal/NCCfgTypes.hh +include/NCrystal/internal/NCCfgVars.hh +include/NCrystal/internal/NCDebyeMSD.hh +include/NCrystal/internal/NCDynInfoUtils.hh +include/NCrystal/internal/NCDynLoader.hh +include/NCrystal/internal/NCElIncScatter.hh +include/NCrystal/internal/NCElIncXS.hh +include/NCrystal/internal/NCEqRefl.hh +include/NCrystal/internal/NCFactoryUtils.hh +include/NCrystal/internal/NCFastConvolve.hh +include/NCrystal/internal/NCFileUtils.hh +include/NCrystal/internal/NCFillHKL.hh +include/NCrystal/internal/NCFreeGas.hh +include/NCrystal/internal/NCFreeGasUtils.hh +include/NCrystal/internal/NCGasMixUtils.hh +include/NCrystal/internal/NCGaussMos.hh +include/NCrystal/internal/NCGaussOnSphere.hh +include/NCrystal/internal/NCIofQHelper.hh +include/NCrystal/internal/NCIter.hh +include/NCrystal/internal/NCKinUtils.hh +include/NCrystal/internal/NCLCBragg.hh +include/NCrystal/internal/NCLCRefModels.hh +include/NCrystal/internal/NCLCUtils.hh +include/NCrystal/internal/NCLatticeUtils.hh +include/NCrystal/internal/NCMath.hh +include/NCrystal/internal/NCMatrix.hh +include/NCrystal/internal/NCOrientUtils.hh +include/NCrystal/internal/NCPCBragg.hh +include/NCrystal/internal/NCPlaneProvider.hh +include/NCrystal/internal/NCPointwiseDist.hh +include/NCrystal/internal/NCRandUtils.hh +include/NCrystal/internal/NCRomberg.hh +include/NCrystal/internal/NCRotMatrix.hh +include/NCrystal/internal/NCSABEval.hh +include/NCrystal/internal/NCSABExtender.hh +include/NCrystal/internal/NCSABFactory.hh +include/NCrystal/internal/NCSABIntegrator.hh +include/NCrystal/internal/NCSABSampler.hh +include/NCrystal/internal/NCSABSamplerModels.hh +include/NCrystal/internal/NCSABScatter.hh +include/NCrystal/internal/NCSABScatterHelper.hh +include/NCrystal/internal/NCSABUCN.hh +include/NCrystal/internal/NCSABUtils.hh +include/NCrystal/internal/NCSABXSProvider.hh +include/NCrystal/internal/NCSANSSphScat.hh +include/NCrystal/internal/NCSANSUtils.hh +include/NCrystal/internal/NCSCBragg.hh +include/NCrystal/internal/NCScatKnlData.hh +include/NCrystal/internal/NCSpan.hh +include/NCrystal/internal/NCSpline.hh +include/NCrystal/internal/NCStrView.hh +include/NCrystal/internal/NCString.hh +include/NCrystal/internal/NCVDOSEval.hh +include/NCrystal/internal/NCVDOSGn.hh +include/NCrystal/internal/NCVDOSToScatKnl.hh +include/NCrystal/internal/NCVector.hh +include/NCrystal/ncapi.h +include/NCrystal/ncrystal.h +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 +share/NCrystal/data/AcrylicGlass_C5O2H8.ncmat +share/NCrystal/data/AgBr_sg225_SilverBromide.ncmat +share/NCrystal/data/Ag_sg225.ncmat +share/NCrystal/data/Al2O3_sg167_Corundum.ncmat +share/NCrystal/data/Al4C3_sg166_AluminiumCarbide.ncmat +share/NCrystal/data/AlN_sg186_AluminumNitride.ncmat +share/NCrystal/data/Al_sg225.ncmat +share/NCrystal/data/Ar_Gas_STP.ncmat +share/NCrystal/data/Au_sg225.ncmat +share/NCrystal/data/BaF2_sg225_BariumFluoride.ncmat +share/NCrystal/data/BaO_sg225_BariumOxide.ncmat +share/NCrystal/data/Ba_sg229.ncmat +share/NCrystal/data/Be3N2_sg206_BerylliumNitride.ncmat +share/NCrystal/data/BeF2_sg152_Beryllium_Fluoride.ncmat +share/NCrystal/data/BeO_sg186.ncmat +share/NCrystal/data/Be_sg194.ncmat +share/NCrystal/data/Bi_sg166.ncmat +share/NCrystal/data/C_sg194_pyrolytic_graphite.ncmat +share/NCrystal/data/C_sg227_Diamond.ncmat +share/NCrystal/data/CaCO3_sg62_Aragonite.ncmat +share/NCrystal/data/CaF2_sg225_CalciumFlouride.ncmat +share/NCrystal/data/CaH2_sg62_CalciumHydride.ncmat +share/NCrystal/data/CaO2H2_sg164_CalciumHydroxide.ncmat +share/NCrystal/data/CaO_sg225_CalciumOxide.ncmat +share/NCrystal/data/CaSiO3_sg2_Wollastonite.ncmat +share/NCrystal/data/Ca_sg225.ncmat +share/NCrystal/data/Ca_sg229_Calcium-gamma.ncmat +share/NCrystal/data/CeO2_sg225_CeriumOxide.ncmat +share/NCrystal/data/Cr_sg229.ncmat +share/NCrystal/data/Cu2O_sg224_Cuprite.ncmat +share/NCrystal/data/Cu_sg225.ncmat +share/NCrystal/data/Dy2O3_sg206_DysprosiumOxide.ncmat +share/NCrystal/data/Epoxy_Araldite506_C18H20O3.ncmat +share/NCrystal/data/Fe_sg225_Iron-gamma.ncmat +share/NCrystal/data/Fe_sg229_Iron-alpha.ncmat +share/NCrystal/data/GaN_sg186_GalliumNitride.ncmat +share/NCrystal/data/GaSe_sg194_GalliumSelenide.ncmat +share/NCrystal/data/Ge3Bi4O12_sg220_BismuthGermanate.ncmat +share/NCrystal/data/Ge_sg227.ncmat +share/NCrystal/data/He_Gas_STP.ncmat +share/NCrystal/data/HfO2_sg14_HafniumOxide.ncmat +share/NCrystal/data/Ho2O3_sg206_HolmiumOxide.ncmat +share/NCrystal/data/KBr_sg225_PotassiumBromide.ncmat +share/NCrystal/data/KF_sg225_PotassiumFlouride.ncmat +share/NCrystal/data/KOH_sg4_PotassiumHydroxide.ncmat +share/NCrystal/data/K_sg229.ncmat +share/NCrystal/data/Kapton_C22H10N2O5.ncmat +share/NCrystal/data/Kr_Gas_STP.ncmat +share/NCrystal/data/LaBr3_sg176_LanthanumBromide.ncmat +share/NCrystal/data/Li2O_sg225_LithiumOxide.ncmat +share/NCrystal/data/Li3N_sg191_LithiumNitride.ncmat +share/NCrystal/data/LiF_sg225_LithiumFlouride.ncmat +share/NCrystal/data/LiH_sg225_LithiumHydride.ncmat +share/NCrystal/data/LiquidHeavyWaterD2O_T293.6K.ncmat +share/NCrystal/data/LiquidWaterH2O_T293.6K.ncmat +share/NCrystal/data/Lu2O3_sg206_LutetiumOxide.ncmat +share/NCrystal/data/Lu2SiO5_sg15.ncmat +share/NCrystal/data/Mg2SiO4_sg62_MagnesiumSilicate.ncmat +share/NCrystal/data/MgAl2O4_sg227_MAS.ncmat +share/NCrystal/data/MgCO3_sg167_MagnesiumCarbonate.ncmat +share/NCrystal/data/MgD2_sg136_MagnesiumDeuteride.ncmat +share/NCrystal/data/MgF2_sg136_MagnesiumFlouride.ncmat +share/NCrystal/data/MgH2_sg136_MagnesiumHydride.ncmat +share/NCrystal/data/MgO2H2_sg164_MagnesiumHydroxide.ncmat +share/NCrystal/data/MgO_sg225_Periclase.ncmat +share/NCrystal/data/Mg_sg194.ncmat +share/NCrystal/data/Mo_sg229.ncmat +share/NCrystal/data/Na4Si3Al3O12Cl_sg218_Sodalite.ncmat +share/NCrystal/data/NaBr_sg225_SodiumBromide.ncmat +share/NCrystal/data/NaCl_sg225_SodiumChloride.ncmat +share/NCrystal/data/NaF_sg225_SodiumFlouride.ncmat +share/NCrystal/data/NaI_sg225_SodiumIodide.ncmat +share/NCrystal/data/Na_sg229.ncmat +share/NCrystal/data/Nb_sg229.ncmat +share/NCrystal/data/Ne_Gas_STP.ncmat +share/NCrystal/data/Ni_sg225.ncmat +share/NCrystal/data/Nylon11_C11H21NO.ncmat +share/NCrystal/data/Nylon12_C12H23NO.ncmat +share/NCrystal/data/Nylon610_C16H30N2O2.ncmat +share/NCrystal/data/Nylon66or6_C12H22N2O2.ncmat +share/NCrystal/data/PEEK_C19H12O3.ncmat +share/NCrystal/data/PVC_C2H3Cl.ncmat +share/NCrystal/data/PbF2-beta_sg225_BetaLeadFlouride.ncmat +share/NCrystal/data/PbO-alpha_sg129_Litharge.ncmat +share/NCrystal/data/PbO-beta_sg57_Massicot.ncmat +share/NCrystal/data/PbS_sg225_LeadSulfide.ncmat +share/NCrystal/data/Pb_sg225.ncmat +share/NCrystal/data/Pd_sg225.ncmat +share/NCrystal/data/Polycarbonate_C16O3H14.ncmat +share/NCrystal/data/Polyester_C10H8O4.ncmat +share/NCrystal/data/Polyethylene_CH2.ncmat +share/NCrystal/data/Polylactide_C3H4O2.ncmat +share/NCrystal/data/Polypropylene_C3H6.ncmat +share/NCrystal/data/Polystyrene_C8H8.ncmat +share/NCrystal/data/Pt_sg225.ncmat +share/NCrystal/data/Rb_sg229.ncmat +share/NCrystal/data/Rubber_C5H8.ncmat +share/NCrystal/data/Sc_sg194.ncmat +share/NCrystal/data/SiC-beta_sg216_BetaSiliconCarbide.ncmat +share/NCrystal/data/SiO2-alpha_sg154_AlphaQuartz.ncmat +share/NCrystal/data/SiO2-beta_sg180_BetaQuartz.ncmat +share/NCrystal/data/Si_sg227.ncmat +share/NCrystal/data/Sn_sg141.ncmat +share/NCrystal/data/SrF2_sg225_StrontiumFluoride.ncmat +share/NCrystal/data/SrH2_sg62_StrontiumHydride.ncmat +share/NCrystal/data/Sr_sg225.ncmat +share/NCrystal/data/Th3N4_sg166_ThoriumNitride.ncmat +share/NCrystal/data/ThO2_sg225_ThoriumDioxide.ncmat +share/NCrystal/data/Th_sg225.ncmat +share/NCrystal/data/TiO2_sg136_Rutile.ncmat +share/NCrystal/data/TiO2_sg141_Anatase.ncmat +share/NCrystal/data/Ti_sg194.ncmat +share/NCrystal/data/TlBr_sg221_ThaliumBromide.ncmat +share/NCrystal/data/Tm2O3_sg206_ThuliumOxide.ncmat +share/NCrystal/data/UF6_sg62_UraniumHexaflouride.ncmat +share/NCrystal/data/UO2_sg225_UraniumDioxide.ncmat +share/NCrystal/data/V_sg229.ncmat +share/NCrystal/data/W_sg229.ncmat +share/NCrystal/data/Xe_Gas_STP.ncmat +share/NCrystal/data/Y2O3_sg206_Yttrium_Oxide.ncmat +share/NCrystal/data/Y2SiO5_sg15_YSO.ncmat +share/NCrystal/data/Y3Al5O12_sg230_YAG.ncmat +share/NCrystal/data/Y_sg194.ncmat +share/NCrystal/data/ZnF2_sg136_ZincFlouride.ncmat +share/NCrystal/data/ZnO_sg186_ZincOxide.ncmat +share/NCrystal/data/ZnS_sg216_Sphalerite.ncmat +share/NCrystal/data/Zn_sg194.ncmat +share/NCrystal/data/ZrF4-beta_sg84.ncmat +share/NCrystal/data/ZrO2_sg137_Zirconia.ncmat +share/NCrystal/data/ZrO2_sg14_Zirconia.ncmat +share/NCrystal/data/Zr_sg194.ncmat +share/NCrystal/data/void.ncmat +share/NCrystal/mcstas/NCrystal_sample.comp +share/NCrystal/python/NCrystal/__init__.py +share/NCrystal/python/NCrystal/_chooks.py +share/NCrystal/python/NCrystal/_common.py +share/NCrystal/python/NCrystal/_coreimpl.py +share/NCrystal/python/NCrystal/_miscimpl.py +share/NCrystal/python/NCrystal/_nclibpath.py +share/NCrystal/python/NCrystal/_ncmatimpl.py +share/NCrystal/python/NCrystal/_numpy.py +share/NCrystal/python/NCrystal/_testimpl.py +share/NCrystal/python/NCrystal/api.py +share/NCrystal/python/NCrystal/atomdata.py +share/NCrystal/python/NCrystal/cfgstr.py +share/NCrystal/python/NCrystal/cifutils.py +share/NCrystal/python/NCrystal/constants.py +share/NCrystal/python/NCrystal/core.py +share/NCrystal/python/NCrystal/datasrc.py +share/NCrystal/python/NCrystal/exceptions.py +share/NCrystal/python/NCrystal/mcstasutils.py +share/NCrystal/python/NCrystal/misc.py +share/NCrystal/python/NCrystal/ncmat.py +share/NCrystal/python/NCrystal/obsolete.py +share/NCrystal/python/NCrystal/plot.py +share/NCrystal/python/NCrystal/plugins.py +share/NCrystal/python/NCrystal/test.py +share/NCrystal/python/NCrystal/vdos.py
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