Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 465644) +++ head/science/Makefile (revision 465645) @@ -1,217 +1,218 @@ # $FreeBSD$ # 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 += afni SUBDIR += aircraft-datcom 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 += clhep SUBDIR += colt SUBDIR += crf++ SUBDIR += dcl SUBDIR += devisor SUBDIR += dkh SUBDIR += dlpoly-classic SUBDIR += ecs SUBDIR += epte SUBDIR += erd SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += fvm 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 += hs-bio SUBDIR += hypre SUBDIR += iboview SUBDIR += isaac-cfd SUBDIR += jstrack SUBDIR += kalzium-kde4 SUBDIR += kst2 SUBDIR += lamprop SUBDIR += libaec + SUBDIR += libcint SUBDIR += libctl SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libghemical SUBDIR += libint SUBDIR += libkml SUBDIR += liblinear SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libxc SUBDIR += linsmith SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mcxtrace SUBDIR += medit SUBDIR += meep SUBDIR += mei SUBDIR += metaf2xml SUBDIR += minc2 SUBDIR += mol2ps SUBDIR += mpb SUBDIR += mpqc SUBDIR += mpqc-mpich SUBDIR += ncs SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += openbabel SUBDIR += openkim SUBDIR += orthanc SUBDIR += orthanc-dicomweb SUBDIR += orthanc-postgresql SUBDIR += orthanc-webviewer 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-OpenFermion SUBDIR += py-cdo SUBDIR += py-coards SUBDIR += py-h5py SUBDIR += py-hcluster SUBDIR += py-mdp SUBDIR += py-mlpy SUBDIR += py-netCDF4 SUBDIR += py-obspy SUBDIR += py-paida SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pydicom SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal SUBDIR += py-pyteomics SUBDIR += py-pyteomics.biolccc SUBDIR += py-qspin SUBDIR += py-scikit-fuzzy SUBDIR += py-scikit-learn SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-scoria SUBDIR += py-tensorflow SUBDIR += py-veusz SUBDIR += py-ws2300 SUBDIR += pybrain SUBDIR += pycdf SUBDIR += pynn SUBDIR += qcl SUBDIR += qtresistors SUBDIR += rdkit SUBDIR += rubygem-ai4r SUBDIR += rubygem-cdo 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 += step-kde4 SUBDIR += svmlight SUBDIR += szip SUBDIR += tfel SUBDIR += udunits SUBDIR += v_sim SUBDIR += vmd SUBDIR += voro++ SUBDIR += xfce4-equake-plugin SUBDIR += xmakemol .include Index: head/science/libcint/Makefile =================================================================== --- head/science/libcint/Makefile (nonexistent) +++ head/science/libcint/Makefile (revision 465645) @@ -0,0 +1,25 @@ +# $FreeBSD$ + +PORTNAME= libcint +DISTVERSIONPREFIX= v +DISTVERSION= 3.0.10 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= General GTO integrals for quantum chemistry + +LICENSE= BSD2CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libopenblas.so:math/openblas + +USES= cmake:outsource blaslapack:openblas +USE_GITHUB= yes +GH_ACCOUNT= sunqm +USE_LDCONFIG= yes + +PLIST_FILES= include/cint.h \ + lib/libcint.so \ + lib/libcint.so.3.0.6 + +.include Property changes on: head/science/libcint/Makefile ___________________________________________________________________ Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:keywords ## -0,0 +1 ## +FreeBSD=%H \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/libcint/distinfo =================================================================== --- head/science/libcint/distinfo (nonexistent) +++ head/science/libcint/distinfo (revision 465645) @@ -0,0 +1,3 @@ +TIMESTAMP = 1522103933 +SHA256 (sunqm-libcint-v3.0.10_GH0.tar.gz) = aac6d9630dc4c62840f03262166e877d3aeaf27b6b33498fb490fa3428f12fe4 +SIZE (sunqm-libcint-v3.0.10_GH0.tar.gz) = 38801760 Property changes on: head/science/libcint/distinfo ___________________________________________________________________ Added: fbsd:nokeywords ## -0,0 +1 ## +yes \ No newline at end of property Added: svn:eol-style ## -0,0 +1 ## +native \ No newline at end of property Added: svn:mime-type ## -0,0 +1 ## +text/plain \ No newline at end of property Index: head/science/libcint/files/patch-CMakeLists.txt =================================================================== --- head/science/libcint/files/patch-CMakeLists.txt (nonexistent) +++ head/science/libcint/files/patch-CMakeLists.txt (revision 465645) @@ -0,0 +1,15 @@ +--- CMakeLists.txt.orig 2018-03-26 22:49:26 UTC ++++ CMakeLists.txt +@@ -25,7 +25,11 @@ if(QUADMATH_FOUND) + set(HAVE_QUADMATH_H 1 CACHE INTERNAL "Have QUADMATH") + endif() + +-find_package(BLAS REQUIRED) ++# https://bugs.freebsd.org/bugzilla/show_bug.cgi?id=226959 ++#find_package(BLAS REQUIRED) ++set(BLAS_FOUND ON) ++set(BLAS_LINKER_FLAGS -L${CMAKE_INSTALL_PREFIX}/lib -lopenblas -lopenblasp) ++set(BLAS_LIBRARIES ${CMAKE_INSTALL_PREFIX}/lib/libopenblas.so ${CMAKE_INSTALL_PREFIX}/lib/libopenblasp.so) + + include(CheckFunctionExists) + set(CMAKE_REQUIRED_INCLUDES math.h) Property changes on: head/science/libcint/files/patch-CMakeLists.txt ___________________________________________________________________ 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/libcint/files/patch-src_c2f.h =================================================================== --- head/science/libcint/files/patch-src_c2f.h (nonexistent) +++ head/science/libcint/files/patch-src_c2f.h (revision 465645) @@ -0,0 +1,10 @@ +--- src/c2f.h.orig 2018-03-21 00:24:56 UTC ++++ src/c2f.h +@@ -4,6 +4,7 @@ + */ + + #include "config.h" ++#include + + #define ALL_CINT_FORTRAN_(NAME) \ + int c##NAME##_sph_(double *out, int *shls, int *atm, int *natm, \ Property changes on: head/science/libcint/files/patch-src_c2f.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/libcint/pkg-descr =================================================================== --- head/science/libcint/pkg-descr (nonexistent) +++ head/science/libcint/pkg-descr (revision 465645) @@ -0,0 +1,5 @@ +libcint is an open source library for analytical Gaussian integrals. +It provides C/Fortran API to evaluate one-electron/two-electron +integrals for Cartesian/real-spheric/spinor Gaussian type functions. + +WWW: https://github.com/sunqm/libcint Property changes on: head/science/libcint/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