Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 474149) +++ head/science/Makefile (revision 474150) @@ -1,249 +1,250 @@ # $FreeBSD$ # 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 += clhep + SUBDIR += clipper SUBDIR += colt SUBDIR += crf++ 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 += 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 += libkml SUBDIR += liblinear SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libxc SUBDIR += linsmith 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 += ncs SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += openbabel SUBDIR += openkim 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-tensorflow SUBDIR += py-veusz SUBDIR += py-ws2300 SUBDIR += pybrain SUBDIR += pycdf SUBDIR += pynn SUBDIR += qcl SUBDIR += qtresistors 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 += xfce4-equake-plugin SUBDIR += xmakemol .include Index: head/science/clipper/Makefile =================================================================== --- head/science/clipper/Makefile (nonexistent) +++ head/science/clipper/Makefile (revision 474150) @@ -0,0 +1,26 @@ +# $FreeBSD$ + +PORTNAME= clipper +DISTVERSION= 2.1.20180526 +CATEGORIES= science +MASTER_SITES= https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/dependencies/ + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Libraries for the organisation of crystallographic data + +LICENSE= LGPL3 +LICENSE_FILE= ${WRKSRC}/COPYING + +LIB_DEPENDS= libccp4c.so:science/libccp4 \ + libmmdb2.so:science/mmdb2 \ + libsfftw.so:math/fftw-float + +USES= fortran gmake libtool localbase:ldflags +GNU_CONFIGURE= yes +CONFIGURE_ARGS= --enable-shared --disable-static \ + --enable-phs --enable-cns --enable-mmdb --enable-minimol --enable-cif --enable-ccp4 --enable-fortran +USE_LDCONFIG= yes + +WRKSRC= ${WRKDIR}/${PORTNAME}-${DISTVERSION:C/\.[0-9]+$//} + +.include Property changes on: head/science/clipper/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/clipper/distinfo =================================================================== --- head/science/clipper/distinfo (nonexistent) +++ head/science/clipper/distinfo (revision 474150) @@ -0,0 +1,3 @@ +TIMESTAMP = 1531010900 +SHA256 (clipper-2.1.20180526.tar.gz) = 7b77d5c79078eb0ce94ea503c0346c799c44a2872dfd14b09abc404025003c4b +SIZE (clipper-2.1.20180526.tar.gz) = 3007665 Property changes on: head/science/clipper/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/clipper/pkg-descr =================================================================== --- head/science/clipper/pkg-descr (nonexistent) +++ head/science/clipper/pkg-descr (revision 474150) @@ -0,0 +1,8 @@ +The aim of the project is to produce a set of object-oriented libraries for the +organisation of crystallographic data and the performance of crystallographic +computation. The libraries are designed as a framework for new crystallographic +software, which will allow the full power of modern programming techniques to be +exploited by the developer. This will lead to greater functionality from simpler +code which will be easier to develop and debug. + +WWW: https://www.ysbl.york.ac.uk/~cowtan/clipper/clipper.html Property changes on: head/science/clipper/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/clipper/pkg-plist =================================================================== --- head/science/clipper/pkg-plist (nonexistent) +++ head/science/clipper/pkg-plist (revision 474150) @@ -0,0 +1,107 @@ +include/clipper/ccp4/ccp4_map_io.h +include/clipper/ccp4/ccp4_mtz_io.h +include/clipper/ccp4/ccp4_mtz_types.h +include/clipper/ccp4/ccp4_utils.h +include/clipper/cif/cif_data_io.h +include/clipper/clipper-ccp4.h +include/clipper/clipper-cctbx.h +include/clipper/clipper-cif.h +include/clipper/clipper-cns.h +include/clipper/clipper-contrib.h +include/clipper/clipper-minimol.h +include/clipper/clipper-mmdb.h +include/clipper/clipper-phs.h +include/clipper/clipper.h +include/clipper/cns/cns_hkl_io.h +include/clipper/cns/cns_map_io.h +include/clipper/contrib/convolution_search.h +include/clipper/contrib/edcalc.h +include/clipper/contrib/fffear.h +include/clipper/contrib/function_object_bases.h +include/clipper/contrib/mapfilter.h +include/clipper/contrib/originmatch.h +include/clipper/contrib/sfcalc.h +include/clipper/contrib/sfcalc_obs.h +include/clipper/contrib/sfscale.h +include/clipper/contrib/sfweight.h +include/clipper/contrib/skeleton.h +include/clipper/contrib/test_contrib.h +include/clipper/core/atomsf.h +include/clipper/core/cell.h +include/clipper/core/clipper_instance.h +include/clipper/core/clipper_memory.h +include/clipper/core/clipper_message.h +include/clipper/core/clipper_precision.h +include/clipper/core/clipper_stats.h +include/clipper/core/clipper_sysdep.h +include/clipper/core/clipper_test.h +include/clipper/core/clipper_thread.h +include/clipper/core/clipper_types.h +include/clipper/core/clipper_util.h +include/clipper/core/container.h +include/clipper/core/container_hkl.h +include/clipper/core/container_map.h +include/clipper/core/container_types.h +include/clipper/core/coords.h +include/clipper/core/derivs.h +include/clipper/core/fftmap.h +include/clipper/core/fftmap_sparse.h +include/clipper/core/hkl_compute.h +include/clipper/core/hkl_data.h +include/clipper/core/hkl_datatypes.h +include/clipper/core/hkl_info.h +include/clipper/core/hkl_lookup.h +include/clipper/core/hkl_operators.h +include/clipper/core/map_interp.h +include/clipper/core/map_utils.h +include/clipper/core/nxmap.h +include/clipper/core/nxmap_operator.h +include/clipper/core/ramachandran.h +include/clipper/core/resol_basisfn.h +include/clipper/core/resol_fn.h +include/clipper/core/resol_targetfn.h +include/clipper/core/rotation.h +include/clipper/core/spacegroup.h +include/clipper/core/spacegroup_data.h +include/clipper/core/symop.h +include/clipper/core/test_core.h +include/clipper/core/test_data.h +include/clipper/core/xmap.h +include/clipper/minimal-clipper-hkl.h +include/clipper/minimal-clipper-map.h +include/clipper/minimol/container_minimol.h +include/clipper/minimol/minimol.h +include/clipper/minimol/minimol_data.h +include/clipper/minimol/minimol_io.h +include/clipper/minimol/minimol_seq.h +include/clipper/minimol/minimol_utils.h +include/clipper/mmdb/clipper_mmdb.h +include/clipper/phs/phs_io.h +lib/libclipper-ccp4.so +lib/libclipper-ccp4.so.2 +lib/libclipper-ccp4.so.2.0.1 +lib/libclipper-cif.so +lib/libclipper-cif.so.2 +lib/libclipper-cif.so.2.0.1 +lib/libclipper-cns.so +lib/libclipper-cns.so.2 +lib/libclipper-cns.so.2.0.1 +lib/libclipper-contrib.so +lib/libclipper-contrib.so.2 +lib/libclipper-contrib.so.2.0.1 +lib/libclipper-core.so +lib/libclipper-core.so.2 +lib/libclipper-core.so.2.0.1 +lib/libclipper-fortran.so +lib/libclipper-fortran.so.2 +lib/libclipper-fortran.so.2.0.1 +lib/libclipper-minimol.so +lib/libclipper-minimol.so.2 +lib/libclipper-minimol.so.2.0.1 +lib/libclipper-mmdb.so +lib/libclipper-mmdb.so.2 +lib/libclipper-mmdb.so.2.0.1 +lib/libclipper-phs.so +lib/libclipper-phs.so.2 +lib/libclipper-phs.so.2.0.1 +libdata/pkgconfig/clipper.pc Property changes on: head/science/clipper/pkg-plist ___________________________________________________________________ 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