Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 478275) +++ head/science/Makefile (revision 478276) @@ -1,263 +1,264 @@ # $FreeBSD$ # COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += ALPSCore SUBDIR += InsightToolkit SUBDIR += MOOSE-neural-simulator SUBDIR += PETSc SUBDIR += R-cran-AMORE SUBDIR += R-cran-DCluster SUBDIR += R-cran-Epi SUBDIR += R-cran-bayesm SUBDIR += R-cran-cmprsk SUBDIR += R-cran-e1071 SUBDIR += R-cran-eco SUBDIR += R-cran-epicalc SUBDIR += R-cran-etm SUBDIR += R-cran-fastICA SUBDIR += R-cran-kernlab SUBDIR += R-cran-snow SUBDIR += R-cran-som SUBDIR += R-cran-udunits2 SUBDIR += abinit SUBDIR += afni SUBDIR += aircraft-datcom SUBDIR += antioch SUBDIR += atompaw SUBDIR += avogadro SUBDIR += bddsolve SUBDIR += bft SUBDIR += bodr SUBDIR += brian SUBDIR += buddy SUBDIR += cdcl SUBDIR += cdf SUBDIR += cdo SUBDIR += cgnslib SUBDIR += cgribex SUBDIR += checkmol SUBDIR += chemical-mime-data SUBDIR += chemps2 SUBDIR += chemtool SUBDIR += chemtool-devel SUBDIR += chrono SUBDIR += clhep SUBDIR += clipper SUBDIR += colt SUBDIR += coot SUBDIR += crf++ SUBDIR += datawarrior SUBDIR += dcl SUBDIR += devisor SUBDIR += dft_tools SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += dlpoly-classic SUBDIR += eccodes SUBDIR += ecs SUBDIR += epte SUBDIR += erd SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += fvm SUBDIR += gabedit SUBDIR += gchemutils SUBDIR += gdma SUBDIR += getdp SUBDIR += ghemical SUBDIR += ghmm SUBDIR += gnudatalanguage SUBDIR += gramps SUBDIR += grib_api SUBDIR += gromacs SUBDIR += gsmc SUBDIR += gtamsanalyzer SUBDIR += gwyddion SUBDIR += h5utils SUBDIR += harminv SUBDIR += hdf SUBDIR += hdf5 SUBDIR += hdf5-18 SUBDIR += hypre SUBDIR += iboview SUBDIR += isaac-cfd SUBDIR += jstrack SUBDIR += kalzium SUBDIR += kalzium-kde4 SUBDIR += kst2 SUBDIR += lamprop SUBDIR += libaec SUBDIR += libccp4 SUBDIR += libcint SUBDIR += libctl SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libghemical SUBDIR += libint + SUBDIR += libint2 SUBDIR += libkml SUBDIR += liblinear SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libxc SUBDIR += linsmith SUBDIR += madness SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mcxtrace SUBDIR += mcxtrace-comps SUBDIR += medit SUBDIR += meep SUBDIR += mei SUBDIR += metaf2xml SUBDIR += metaphysicl SUBDIR += minc2 SUBDIR += mmdb2 SUBDIR += mol2ps SUBDIR += mpb SUBDIR += mpqc SUBDIR += mpqc-mpich SUBDIR += multiwfn SUBDIR += ncs SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += nwchem SUBDIR += octopus SUBDIR += openbabel SUBDIR += openkim SUBDIR += openstructure SUBDIR += p5-Algorithm-SVMLight SUBDIR += p5-Chemistry-3DBuilder SUBDIR += p5-Chemistry-Bond-Find SUBDIR += p5-Chemistry-Canonicalize SUBDIR += p5-Chemistry-Elements SUBDIR += p5-Chemistry-File-MDLMol SUBDIR += p5-Chemistry-File-Mopac SUBDIR += p5-Chemistry-File-PDB SUBDIR += p5-Chemistry-File-SLN SUBDIR += p5-Chemistry-File-SMARTS SUBDIR += p5-Chemistry-File-SMILES SUBDIR += p5-Chemistry-File-VRML SUBDIR += p5-Chemistry-File-XYZ SUBDIR += p5-Chemistry-FormulaPattern SUBDIR += p5-Chemistry-InternalCoords SUBDIR += p5-Chemistry-Isotope SUBDIR += p5-Chemistry-MacroMol SUBDIR += p5-Chemistry-MidasPattern SUBDIR += p5-Chemistry-Mok SUBDIR += p5-Chemistry-Mol SUBDIR += p5-Chemistry-Pattern SUBDIR += p5-Chemistry-Reaction SUBDIR += p5-Chemistry-Ring SUBDIR += p5-Geo-BUFR SUBDIR += p5-Geo-Coordinates-Converter SUBDIR += p5-Geo-Coordinates-Converter-iArea SUBDIR += p5-Geo-ReadGRIB SUBDIR += p5-Geo-WebService-Elevation-USGS SUBDIR += p5-Mcstas-Tools SUBDIR += p5-PerlMol SUBDIR += p5-Physics-Unit SUBDIR += paje SUBDIR += paraview SUBDIR += pcmsolver SUBDIR += pnetcdf SUBDIR += psychopy SUBDIR += pulseview SUBDIR += py-DendroPy SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion SUBDIR += py-PyQuante SUBDIR += py-ScientificPython SUBDIR += py-SimpleSpectral SUBDIR += py-abipy SUBDIR += py-cdo SUBDIR += py-coards SUBDIR += py-dlib SUBDIR += py-gsd SUBDIR += py-h5py SUBDIR += py-hcluster SUBDIR += py-kinematics SUBDIR += py-mdp SUBDIR += py-mlpy SUBDIR += py-mmtf-python SUBDIR += py-netCDF4 SUBDIR += py-obspy SUBDIR += py-openpiv SUBDIR += py-paida SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pydicom SUBDIR += py-pymatgen SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal SUBDIR += py-pyteomics SUBDIR += py-pyteomics.biolccc SUBDIR += py-qspin SUBDIR += py-quantities SUBDIR += py-rmf SUBDIR += py-scikit-fuzzy SUBDIR += py-scikit-learn SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-scoria SUBDIR += py-spglib SUBDIR += py-veusz SUBDIR += py-ws2300 SUBDIR += pybrain SUBDIR += pycdf SUBDIR += pynn SUBDIR += qcl SUBDIR += qmcpack SUBDIR += qtresistors SUBDIR += quantum-espresso SUBDIR += qwalk SUBDIR += rdkit SUBDIR += rmf SUBDIR += rubygem-ai4r SUBDIR += rubygem-cdo SUBDIR += rubygem-rgeo SUBDIR += rubygem-rgeo-geojson SUBDIR += rubygem-rgeo-proj4 SUBDIR += rubygem-rgeo-shapefile SUBDIR += rubygem-ruby-dcl SUBDIR += rubygem-ruby-netcdf SUBDIR += sigrok-cli SUBDIR += sigrok-firmware SUBDIR += sigrok-firmware-fx2lafw SUBDIR += sigrok-firmware-utils SUBDIR += silo SUBDIR += simlib SUBDIR += simsmith SUBDIR += spglib SUBDIR += step SUBDIR += step-kde4 SUBDIR += svmlight SUBDIR += szip SUBDIR += tfel SUBDIR += triqs SUBDIR += udunits SUBDIR += v_sim SUBDIR += vmd SUBDIR += voro++ SUBDIR += xcrysden SUBDIR += xdrawchem SUBDIR += xfce4-equake-plugin SUBDIR += xmakemol .include Index: head/science/libint2/Makefile =================================================================== --- head/science/libint2/Makefile (nonexistent) +++ head/science/libint2/Makefile (revision 478276) @@ -0,0 +1,46 @@ +# Created by: NAKATA, Maho +# $FreeBSD$ + +PORTNAME= libint2 +DISTVERSIONPREFIX= v +DISTVERSION= 2.5.0-beta.2-20 +DISTVERSIONSUFFIX= -gc2e0a72 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Evaluate the integrals in modern atomic and molecular theory + +LICENSE= GPLv2 +LICENSE_FILE= ${WRKSRC}/LICENSE + +BROKEN_FreeBSD_10= /usr/include/c++/v1/memory:4004:35: error: no viable overloaded '=': __e->__weak_this_ = *this; + +LIB_DEPENDS= libboost_system.so:devel/boost-libs \ + libgmpxx.so:math/gmp + +USES= autoreconf:build compiler:c++11-lang gmake libtool localbase:ldflags +USE_GITHUB= yes +GH_ACCOUNT= evaleev +GH_PROJECT= ${PORTNAME:S/2//} +USE_LDCONFIG= yes +ALL_TARGET= default + +GNU_CONFIGURE= yes +CONFIGURE_ARGS= --enable-shared --disable-static --with-cc-optflags="${CFLAGS}" \ + --with-cxx-optflags="${CXXFLAGS}" + +DATADIR= ${PREFIX}/share/${PORTNAME:S/2//} + +post-patch: + @${REINPLACE_CMD} -e 's| -rpath|${LDFLAGS} -rpath|g' \ + ${WRKSRC}/src/lib/MakeVars.in + +pre-configure: +# Cannot run autoheader so cannot use autoreconf. + @cd ${WRKSRC} && ${LOCALBASE}/bin/libtoolize -c -f \ + && ${LOCALBASE}/bin/aclocal && ${LOCALBASE}/bin/autoconf + +post-install: + @${STRIP_CMD} ${STAGEDIR}${PREFIX}/lib/*.so + +.include Property changes on: head/science/libint2/Makefile ___________________________________________________________________ Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:keywords ## -0,0 +1 ## +FreeBSD=%H \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/libint2/distinfo =================================================================== --- head/science/libint2/distinfo (nonexistent) +++ head/science/libint2/distinfo (revision 478276) @@ -0,0 +1,3 @@ +TIMESTAMP = 1535411311 +SHA256 (evaleev-libint-v2.5.0-beta.2-20-gc2e0a72_GH0.tar.gz) = dd2fc5bcbc6373475f9dd00aa7fa5ee3a26d0f89e725d5a0c3a03ae1b6d1525c +SIZE (evaleev-libint-v2.5.0-beta.2-20-gc2e0a72_GH0.tar.gz) = 11944895 Property changes on: head/science/libint2/distinfo ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/libint2/files/patch-src_bin_libint_tactic.h =================================================================== --- head/science/libint2/files/patch-src_bin_libint_tactic.h (nonexistent) +++ head/science/libint2/files/patch-src_bin_libint_tactic.h (revision 478276) @@ -0,0 +1,10 @@ +--- src/bin/libint/tactic.h.orig 2018-08-27 23:11:44 UTC ++++ src/bin/libint/tactic.h +@@ -21,6 +21,7 @@ + #include + #include + #include ++#include + + #ifndef _libint2_src_bin_libint_tactic_h_ + #define _libint2_src_bin_libint_tactic_h_ Property changes on: head/science/libint2/files/patch-src_bin_libint_tactic.h ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/libint2/pkg-descr =================================================================== --- head/science/libint2/pkg-descr (nonexistent) +++ head/science/libint2/pkg-descr (revision 478276) @@ -0,0 +1,4 @@ +Libint is a library for evaluating ERI (electron replusion integral) +over Cartesian Gaussian fuctions for modern atomic and molecular theory. + +WWW: https://github.com/evaleev/libint Property changes on: head/science/libint2/pkg-descr ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/libint2/pkg-plist =================================================================== --- head/science/libint2/pkg-plist (nonexistent) +++ head/science/libint2/pkg-plist (revision 478276) @@ -0,0 +1,347 @@ +include/libint2.h +include/libint2.hpp +include/libint2/GenericContract.h +include/libint2/GenericGaussDeriv.h +include/libint2/GenericGaussDeriv.impl.h +include/libint2/GenericScale.h +include/libint2/ITR_xs_xs.h +include/libint2/OSVRR_sx_sx.h +include/libint2/OSVRR_sx_sx_deriv.h +include/libint2/OSVRR_xs_xs.h +include/libint2/OSVRR_xs_xs_deriv.h +include/libint2/VRR_GTG_1d_xx_xx.h +include/libint2/VRR_GTG_1d_xx_xx_vec.h +include/libint2/VRR_r12kg12_xs_xs.h +include/libint2/atom.h +include/libint2/basis.h +include/libint2/boost/preprocessor.hpp +include/libint2/boost/preprocessor/arithmetic.hpp +include/libint2/boost/preprocessor/arithmetic/add.hpp +include/libint2/boost/preprocessor/arithmetic/dec.hpp +include/libint2/boost/preprocessor/arithmetic/detail/div_base.hpp +include/libint2/boost/preprocessor/arithmetic/div.hpp +include/libint2/boost/preprocessor/arithmetic/inc.hpp +include/libint2/boost/preprocessor/arithmetic/mod.hpp +include/libint2/boost/preprocessor/arithmetic/mul.hpp +include/libint2/boost/preprocessor/arithmetic/sub.hpp +include/libint2/boost/preprocessor/array.hpp +include/libint2/boost/preprocessor/array/data.hpp +include/libint2/boost/preprocessor/array/detail/get_data.hpp +include/libint2/boost/preprocessor/array/elem.hpp +include/libint2/boost/preprocessor/array/enum.hpp +include/libint2/boost/preprocessor/array/insert.hpp +include/libint2/boost/preprocessor/array/pop_back.hpp +include/libint2/boost/preprocessor/array/pop_front.hpp +include/libint2/boost/preprocessor/array/push_back.hpp +include/libint2/boost/preprocessor/array/push_front.hpp +include/libint2/boost/preprocessor/array/remove.hpp +include/libint2/boost/preprocessor/array/replace.hpp +include/libint2/boost/preprocessor/array/reverse.hpp +include/libint2/boost/preprocessor/array/size.hpp +include/libint2/boost/preprocessor/array/to_list.hpp +include/libint2/boost/preprocessor/array/to_seq.hpp +include/libint2/boost/preprocessor/array/to_tuple.hpp +include/libint2/boost/preprocessor/cat.hpp +include/libint2/boost/preprocessor/comparison.hpp +include/libint2/boost/preprocessor/comparison/equal.hpp +include/libint2/boost/preprocessor/comparison/greater.hpp +include/libint2/boost/preprocessor/comparison/greater_equal.hpp +include/libint2/boost/preprocessor/comparison/less.hpp +include/libint2/boost/preprocessor/comparison/less_equal.hpp +include/libint2/boost/preprocessor/comparison/not_equal.hpp +include/libint2/boost/preprocessor/config/config.hpp +include/libint2/boost/preprocessor/config/limits.hpp +include/libint2/boost/preprocessor/control.hpp +include/libint2/boost/preprocessor/control/deduce_d.hpp +include/libint2/boost/preprocessor/control/detail/dmc/while.hpp +include/libint2/boost/preprocessor/control/detail/edg/while.hpp +include/libint2/boost/preprocessor/control/detail/msvc/while.hpp +include/libint2/boost/preprocessor/control/detail/while.hpp +include/libint2/boost/preprocessor/control/expr_if.hpp +include/libint2/boost/preprocessor/control/expr_iif.hpp +include/libint2/boost/preprocessor/control/if.hpp +include/libint2/boost/preprocessor/control/iif.hpp +include/libint2/boost/preprocessor/control/while.hpp +include/libint2/boost/preprocessor/debug.hpp +include/libint2/boost/preprocessor/debug/assert.hpp +include/libint2/boost/preprocessor/debug/error.hpp +include/libint2/boost/preprocessor/debug/line.hpp +include/libint2/boost/preprocessor/detail/auto_rec.hpp +include/libint2/boost/preprocessor/detail/check.hpp +include/libint2/boost/preprocessor/detail/dmc/auto_rec.hpp +include/libint2/boost/preprocessor/detail/is_binary.hpp +include/libint2/boost/preprocessor/detail/is_unary.hpp +include/libint2/boost/preprocessor/detail/split.hpp +include/libint2/boost/preprocessor/facilities.hpp +include/libint2/boost/preprocessor/facilities/apply.hpp +include/libint2/boost/preprocessor/facilities/detail/is_empty.hpp +include/libint2/boost/preprocessor/facilities/empty.hpp +include/libint2/boost/preprocessor/facilities/expand.hpp +include/libint2/boost/preprocessor/facilities/identity.hpp +include/libint2/boost/preprocessor/facilities/intercept.hpp +include/libint2/boost/preprocessor/facilities/is_1.hpp +include/libint2/boost/preprocessor/facilities/is_empty.hpp +include/libint2/boost/preprocessor/facilities/is_empty_variadic.hpp +include/libint2/boost/preprocessor/facilities/overload.hpp +include/libint2/boost/preprocessor/iteration.hpp +include/libint2/boost/preprocessor/iteration/iterate.hpp +include/libint2/boost/preprocessor/iteration/local.hpp +include/libint2/boost/preprocessor/iteration/self.hpp +include/libint2/boost/preprocessor/library.hpp +include/libint2/boost/preprocessor/list.hpp +include/libint2/boost/preprocessor/list/adt.hpp +include/libint2/boost/preprocessor/list/append.hpp +include/libint2/boost/preprocessor/list/at.hpp +include/libint2/boost/preprocessor/list/cat.hpp +include/libint2/boost/preprocessor/list/detail/dmc/fold_left.hpp +include/libint2/boost/preprocessor/list/detail/edg/fold_left.hpp +include/libint2/boost/preprocessor/list/detail/edg/fold_right.hpp +include/libint2/boost/preprocessor/list/detail/fold_left.hpp +include/libint2/boost/preprocessor/list/detail/fold_right.hpp +include/libint2/boost/preprocessor/list/enum.hpp +include/libint2/boost/preprocessor/list/filter.hpp +include/libint2/boost/preprocessor/list/first_n.hpp +include/libint2/boost/preprocessor/list/fold_left.hpp +include/libint2/boost/preprocessor/list/fold_right.hpp +include/libint2/boost/preprocessor/list/for_each.hpp +include/libint2/boost/preprocessor/list/for_each_i.hpp +include/libint2/boost/preprocessor/list/for_each_product.hpp +include/libint2/boost/preprocessor/list/rest_n.hpp +include/libint2/boost/preprocessor/list/reverse.hpp +include/libint2/boost/preprocessor/list/size.hpp +include/libint2/boost/preprocessor/list/to_array.hpp +include/libint2/boost/preprocessor/list/to_seq.hpp +include/libint2/boost/preprocessor/list/to_tuple.hpp +include/libint2/boost/preprocessor/list/transform.hpp +include/libint2/boost/preprocessor/logical.hpp +include/libint2/boost/preprocessor/logical/and.hpp +include/libint2/boost/preprocessor/logical/bitand.hpp +include/libint2/boost/preprocessor/logical/bitnor.hpp +include/libint2/boost/preprocessor/logical/bitor.hpp +include/libint2/boost/preprocessor/logical/bitxor.hpp +include/libint2/boost/preprocessor/logical/bool.hpp +include/libint2/boost/preprocessor/logical/compl.hpp +include/libint2/boost/preprocessor/logical/nor.hpp +include/libint2/boost/preprocessor/logical/not.hpp +include/libint2/boost/preprocessor/logical/or.hpp +include/libint2/boost/preprocessor/logical/xor.hpp +include/libint2/boost/preprocessor/punctuation.hpp +include/libint2/boost/preprocessor/punctuation/comma.hpp +include/libint2/boost/preprocessor/punctuation/comma_if.hpp +include/libint2/boost/preprocessor/punctuation/detail/is_begin_parens.hpp +include/libint2/boost/preprocessor/punctuation/is_begin_parens.hpp +include/libint2/boost/preprocessor/punctuation/paren.hpp +include/libint2/boost/preprocessor/punctuation/paren_if.hpp +include/libint2/boost/preprocessor/punctuation/remove_parens.hpp +include/libint2/boost/preprocessor/repetition.hpp +include/libint2/boost/preprocessor/repetition/deduce_r.hpp +include/libint2/boost/preprocessor/repetition/deduce_z.hpp +include/libint2/boost/preprocessor/repetition/detail/dmc/for.hpp +include/libint2/boost/preprocessor/repetition/detail/edg/for.hpp +include/libint2/boost/preprocessor/repetition/detail/for.hpp +include/libint2/boost/preprocessor/repetition/detail/msvc/for.hpp +include/libint2/boost/preprocessor/repetition/enum.hpp +include/libint2/boost/preprocessor/repetition/enum_binary_params.hpp +include/libint2/boost/preprocessor/repetition/enum_params.hpp +include/libint2/boost/preprocessor/repetition/enum_params_with_a_default.hpp +include/libint2/boost/preprocessor/repetition/enum_params_with_defaults.hpp +include/libint2/boost/preprocessor/repetition/enum_shifted.hpp +include/libint2/boost/preprocessor/repetition/enum_shifted_binary_params.hpp +include/libint2/boost/preprocessor/repetition/enum_shifted_params.hpp +include/libint2/boost/preprocessor/repetition/enum_trailing.hpp +include/libint2/boost/preprocessor/repetition/enum_trailing_binary_params.hpp +include/libint2/boost/preprocessor/repetition/enum_trailing_params.hpp +include/libint2/boost/preprocessor/repetition/for.hpp +include/libint2/boost/preprocessor/repetition/repeat.hpp +include/libint2/boost/preprocessor/repetition/repeat_from_to.hpp 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