Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 439920) +++ head/science/Makefile (revision 439921) @@ -1,194 +1,195 @@ # $FreeBSD$ # COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += InsightToolkit 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-snow SUBDIR += R-cran-som SUBDIR += afni 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 += chemtool SUBDIR += chemtool-devel SUBDIR += clhep SUBDIR += colt SUBDIR += crf++ SUBDIR += dcl SUBDIR += devisor SUBDIR += dlpoly-classic SUBDIR += ecs SUBDIR += epte SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += fvm SUBDIR += gchemutils 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 += iboview SUBDIR += isaac-cfd SUBDIR += jstrack SUBDIR += kalzium SUBDIR += kst2 SUBDIR += lamprop SUBDIR += libaec SUBDIR += libctl 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 += 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 += pnetcdf SUBDIR += psychopy SUBDIR += pulseview SUBDIR += py-DendroPy 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-pysal SUBDIR += py-pyteomics SUBDIR += py-pyteomics.biolccc SUBDIR += py-scikit-fuzzy SUBDIR += py-scikit-learn SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-ws2300 SUBDIR += pybrain SUBDIR += pycdf SUBDIR += pynn SUBDIR += qcl SUBDIR += qtresistors 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 SUBDIR += svmlight SUBDIR += szip SUBDIR += tfel SUBDIR += udunits SUBDIR += v_sim SUBDIR += veusz SUBDIR += vmd SUBDIR += voro++ SUBDIR += xfce4-equake-plugin SUBDIR += xmakemol .include Index: head/science/iboview/Makefile =================================================================== --- head/science/iboview/Makefile (nonexistent) +++ head/science/iboview/Makefile (revision 439921) @@ -0,0 +1,39 @@ +# Created by: Johannes Dieterich +# $FreeBSD$ + +PORTNAME= iboview +PORTVERSION= 20150427 +CATEGORIES= science +MASTER_SITES= http://www.iboview.org/bin/ +DISTNAME= ibo-view.20150427 + +MAINTAINER= jmd@FreeBSD.org +COMMENT= Program for analyzing molecular electronic structure + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= qt5-buildtools>=0:devel/qt5-buildtools \ + libGLU>=0:graphics/libGLU \ + boost-libs>=0:devel/boost-libs +LIB_DEPENDS= libgcc_s.so:lang/gcc \ + libGL.so:graphics/libGL +RUN_DEPENDS= libGLU>=0:graphics/libGLU \ + boost-libs>=0:devel/boost-libs + +ONLY_FOR_ARCHS= amd64 +ONLY_FOR_ARCHS_REASON_amd64= only builds and is supported on amd64 + +USES= tar:bz2 qmake:outsource blaslapack:openblas +USE_QT5= core gui widgets opengl script svg + +PLIST_FILES= bin/iboview + +post-patch: + ${REINPLACE_CMD} -e 's|%%_GCC_RUNTIME%%|${LOCALBASE}/lib/gcc${GCC_DEFAULT}|g' \ + ${WRKSRC}/main.pro + +do-install: + ${INSTALL_PROGRAM} ${BUILD_WRKSRC}/iboview ${STAGEDIR}${PREFIX}/bin + +.include Property changes on: head/science/iboview/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/iboview/distinfo =================================================================== --- head/science/iboview/distinfo (nonexistent) +++ head/science/iboview/distinfo (revision 439921) @@ -0,0 +1,3 @@ +TIMESTAMP = 1493172588 +SHA256 (ibo-view.20150427.tar.bz2) = 2a67b7c82ba957d016eef202453bdfc2278d5752dc7000b4b809812bd7945aed +SIZE (ibo-view.20150427.tar.bz2) = 5169203 Property changes on: head/science/iboview/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/iboview/files/patch-main.pro =================================================================== --- head/science/iboview/files/patch-main.pro (nonexistent) +++ head/science/iboview/files/patch-main.pro (revision 439921) @@ -0,0 +1,43 @@ +--- main.pro.orig 2015-04-27 21:30:39 UTC ++++ main.pro +@@ -1,5 +1,5 @@ + # /usr/bin/qmake-qt4 -o Makefile main.pro && make -j 4 +-MKLDIR = $$(MKLROOT) ++#MKLDIR = $$(MKLROOT) + # MKLDIR = /opt/intel/composerxe/mkl + # ^- FIXME: adjust path of MKL here if MKLROOT environment variable is not set. + # (e.g., +@@ -8,8 +8,9 @@ MKLDIR = $$(MKLROOT) + + # LIBS += -L$$MKLDIR/lib/em64t -lmkl_intel_ilp64 -lmkl_sequential -lmkl_core -lmkl_lapack -Wl,-rpath,$$MKLDIR/lib/em64t + # LIBS += -L$$MKLDIR/lib/intel64 -lmkl_gf_ilp64 -lmkl_sequential -lmkl_core -Wl,-rpath,$$MKLDIR/lib/intel64 +-LIBS += -L$$MKLDIR/lib/intel64 -fopenmp -lmkl_gf_ilp64 -lmkl_gnu_thread -lmkl_core -Wl,-rpath,$$MKLDIR/lib/intel64 ++#LIBS += -L$$MKLDIR/lib/intel64 -fopenmp -lmkl_gf_ilp64 -lmkl_gnu_thread -lmkl_core -Wl,-rpath,$$MKLDIR/lib/intel64 + # LIBS += -LC:\Users\cgk\Develop\Libraries\OpenBLAS\bin -lopenblas ++LIBS += -Wl,-rpath=%%_GCC_RUNTIME%% %%_GCC_RUNTIME%%/libgcc_s.so -lopenblas + + # MICROSCF = ../wmme + +@@ -52,14 +53,14 @@ HEADERS += $$GL/glew.h $$GL/glxew.h $$GL/wglew.h + # from.) + + # OpenMP +-msvc { +- QMAKE_CXXFLAGS += /openmp +- QMAKE_LFLAGS += /openmp +-} +-!msvc { +- QMAKE_CXXFLAGS += -fopenmp +- QMAKE_LFLAGS += -fopenmp +-} ++#msvc { ++# QMAKE_CXXFLAGS += /openmp ++# QMAKE_LFLAGS += /openmp ++#} ++#!msvc { ++# QMAKE_CXXFLAGS += -fopenmp ++# QMAKE_LFLAGS += -fopenmp ++#} + # ^- warning: need to replace all OpenMP loop variables by "int". Otherwise won't work + # in vc or gcc <= 4.4 (unsigned integral types only allowed since OpenMP 3.0... wtf + # were they thinking?!) Property changes on: head/science/iboview/files/patch-main.pro ___________________________________________________________________ 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/iboview/files/patch-src_Common_CxNumpyArray.cpp =================================================================== --- head/science/iboview/files/patch-src_Common_CxNumpyArray.cpp (nonexistent) +++ head/science/iboview/files/patch-src_Common_CxNumpyArray.cpp (revision 439921) @@ -0,0 +1,10 @@ +--- src/Common/CxNumpyArray.cpp.orig 2015-04-27 21:30:38 UTC ++++ src/Common/CxNumpyArray.cpp +@@ -22,6 +22,7 @@ + */ + + #include ++#include + #include "CxNumpyArray.h" + + #ifdef _MSC_VER Property changes on: head/science/iboview/files/patch-src_Common_CxNumpyArray.cpp ___________________________________________________________________ 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/iboview/files/patch-src_Common_CxStorageDevice.h =================================================================== --- head/science/iboview/files/patch-src_Common_CxStorageDevice.h (nonexistent) +++ head/science/iboview/files/patch-src_Common_CxStorageDevice.h (revision 439921) @@ -0,0 +1,10 @@ +--- src/Common/CxStorageDevice.h.orig 2017-04-30 20:26:11 UTC ++++ src/Common/CxStorageDevice.h +@@ -26,6 +26,7 @@ + + #include + #include ++#include + #include "CxTypes.h" + + namespace ct { Property changes on: head/science/iboview/files/patch-src_Common_CxStorageDevice.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/iboview/pkg-descr =================================================================== --- head/science/iboview/pkg-descr (nonexistent) +++ head/science/iboview/pkg-descr (revision 439921) @@ -0,0 +1,7 @@ +Program for analyzing molecular electronic structure + +Iboview can visualize electronic structure from first-principles DFT, +in terms of intuitive concepts (partial charges, bond orders, +bond orbitals), even in systems with complex or unusual bonding. + +WWW: http://www.iboview.org/ Property changes on: head/science/iboview/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