Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 474153) +++ head/science/Makefile (revision 474154) @@ -1,250 +1,251 @@ # $FreeBSD$ # 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 += coot 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/coot/Makefile =================================================================== --- head/science/coot/Makefile (nonexistent) +++ head/science/coot/Makefile (revision 474154) @@ -0,0 +1,50 @@ +# $FreeBSD$ + +PORTNAME= coot +DISTVERSION= 0.8.9.1 +CATEGORIES= science +MASTER_SITES= https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/${PORTNAME}/source/releases/ \ + https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/${PORTNAME}/dependencies/:data +DISTFILES= ${PORTNAME}-${DISTVERSION}${EXTRACT_SUFX} refmac-monomer-library${EXTRACT_SUFX}:data reference-structures${EXTRACT_SUFX}:data +DIST_SUBDIR= ${PORTNAME} + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Crystallographic Object-Oriented Toolkit + +LICENSE= LGPL3 +LICENSE_FILE= ${WRKSRC}/COPYING + +LIB_DEPENDS= libccp4c.so:science/libccp4 \ + libclipper-core.so:science/clipper \ + libcurl.so:ftp/curl \ + libfontconfig.so:x11-fonts/fontconfig \ + libfreetype.so:print/freetype2 \ + libgtkglext-x11-1.0.so:x11-toolkits/gtkglext \ + libgsl.so:math/gsl \ + libmmdb2.so:science/mmdb2 \ + libpng16.so:graphics/png \ + libsfftw.so:math/fftw-float \ + libssm.so:science/libssm +RUN_DEPENDS= bash:shells/bash + +USES= desktop-file-utils fortran gettext-runtime gmake libtool localbase:ldflags pkgconfig python:2.7 shebangfix sqlite +SHEBANG_FILES= src/coot.in +GNU_CONFIGURE= yes +CONFIGURE_ARGS= --with-python +CONFIGURE_ARGS= --enable-shared --disable-static +USE_GNOME= atk cairo gdkpixbuf2 glib20 gtk20 libartlgpl2 libgnomecanvas pango pangox-compat +USE_GL= gl glu glut +USE_XORG= ice sm x11 xmu xt +INSTALL_TARGET= install-strip +USE_LDCONFIG= yes +INSTALLS_ICONS= yes + +MAKE_ENV= PYTHON=${PYTHON_CMD} +CXXFLAGS+= -I${PYTHON_INCLUDEDIR} + +post-install: + @${MKDIR} ${STAGEDIR}${DATADIR}/lib/data + @cd ${WRKDIR} && ${COPYTREE_SHARE} monomers ${STAGEDIR}${DATADIR}/lib/data/ + @cd ${WRKDIR} && ${COPYTREE_SHARE} reference-structures ${STAGEDIR}${DATADIR}/ + +.include Property changes on: head/science/coot/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/coot/distinfo =================================================================== --- head/science/coot/distinfo (nonexistent) +++ head/science/coot/distinfo (revision 474154) @@ -0,0 +1,7 @@ +TIMESTAMP = 1531013796 +SHA256 (coot/coot-0.8.9.1.tar.gz) = 51b6faef11177a8ab682fbe28448f935ae1252ad53b4efa31339ff658a63ff94 +SIZE (coot/coot-0.8.9.1.tar.gz) = 19360553 +SHA256 (coot/refmac-monomer-library.tar.gz) = 03562eec612103a48bd114cfe0d171943e88f94b84610d16d542cda138e5f36b +SIZE (coot/refmac-monomer-library.tar.gz) = 37439851 +SHA256 (coot/reference-structures.tar.gz) = 44db38506f0f90c097d4855ad81a82a36b49cd1e3ffe7d6ee4728b15109e281a +SIZE (coot/reference-structures.tar.gz) = 6728787 Property changes on: head/science/coot/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/coot/files/patch-src_cc-interface-image.hh =================================================================== --- head/science/coot/files/patch-src_cc-interface-image.hh (nonexistent) +++ head/science/coot/files/patch-src_cc-interface-image.hh (revision 474154) @@ -0,0 +1,8 @@ +--- src/cc-interface-image.hh.orig 2018-07-08 02:10:49 UTC ++++ src/cc-interface-image.hh +@@ -1,4 +1,5 @@ + ++#include + + // make a png given the info in text_info_dict + // fields: text, font, size, colour, slant, weight Property changes on: head/science/coot/files/patch-src_cc-interface-image.hh ___________________________________________________________________ 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/coot/files/patch-src_rama__plot.cc =================================================================== --- head/science/coot/files/patch-src_rama__plot.cc (nonexistent) +++ head/science/coot/files/patch-src_rama__plot.cc (revision 474154) @@ -0,0 +1,11 @@ +--- src/rama_plot.cc.orig 2018-07-08 02:28:57 UTC ++++ src/rama_plot.cc +@@ -39,6 +39,8 @@ + #include + #include + ++#include ++ + #include // for keyboarding. + + #include "utils/coot-utils.hh" // int to string Property changes on: head/science/coot/files/patch-src_rama__plot.cc ___________________________________________________________________ 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/coot/pkg-descr =================================================================== --- head/science/coot/pkg-descr (nonexistent) +++ head/science/coot/pkg-descr (revision 474154) @@ -0,0 +1,9 @@ +Coot is for macromolecular model building, model completion and validation, +particularly suitable for protein modelling using X-ray data. + +Coot displays maps and models and allows model manipulations such as +idealization, real space refinement, manual rotation/translation, rigid-body +fitting, ligand search, solvation, mutations, rotamers, Ramachandran plots, +skeletonization, non-crystallographic symmetry and more. + +WWW: https://www2.mrc-lmb.cam.ac.uk/personal/pemsley/coot/ Property changes on: head/science/coot/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/coot/pkg-plist =================================================================== --- head/science/coot/pkg-plist (nonexistent) +++ head/science/coot/pkg-plist (revision 474154) @@ -0,0 +1,14466 @@ +bin/coot +bin/coot-available-comp-id +bin/coot-bfactan +bin/coot-compare-dictionaries +bin/coot-density-score-by-residue +bin/coot-fix-nomenclature-errors +bin/coot-make-shelx-restraints +bin/coot-mini-rsr +bin/dynarama +bin/findligand +bin/findwaters +bin/lidia +include/coot/analysis/bfkurt.hh +include/coot/analysis/mogul-interface.hh +include/coot/analysis/stats.hh +include/coot/angles/AngleInfo.h +include/coot/angles/ncube.h +include/coot/angles/wrapped-ncube.h +include/coot/build/CalphaBuild.hh +include/coot/ccp4mg-utils/cartesian.h +include/coot/ccp4mg-utils/geomutil.h +include/coot/ccp4mg-utils/matrix.h +include/coot/ccp4mg-utils/mgtree.h +include/coot/ccp4mg-utils/ppmutil.h +include/coot/ccp4mg-utils/quat.h +include/coot/compat/coot-getopt.h +include/coot/coords/Bond_lines.h +include/coot/coords/Bond_lines_ext.h +include/coot/coords/Cartesian.h +include/coot/coords/coot-close.hh +include/coot/coords/cos-sin.h +include/coot/coords/mmdb-crystal.h +include/coot/coords/mmdb-extras.h +include/coot/coords/mmdb.h +include/coot/coords/phenix-geo.hh +include/coot/coords/ramachandran-container.hh +include/coot/coords/utils.h +include/coot/coot-utils/atom-overlaps.hh +include/coot/coot-utils/bonded-pairs.hh +include/coot/coot-utils/coot-coord-extras.hh +include/coot/coot-utils/coot-coord-utils.hh +include/coot/coot-utils/coot-density-stats.hh +include/coot/coot-utils/coot-h-bonds.hh +include/coot/coot-utils/coot-hole.hh +include/coot/coot-utils/coot-least-squares.hh +include/coot/coot-utils/coot-lsq-types.h +include/coot/coot-utils/coot-map-heavy.hh +include/coot/coot-utils/coot-map-utils.hh +include/coot/coot-utils/coot-rama.hh +include/coot/coot-utils/coot-shelx.hh +include/coot/coot-utils/coot-trim.hh +include/coot/coot-utils/elastic.hh +include/coot/coot-utils/emma.hh +include/coot/coot-utils/glyco-torsions.hh +include/coot/coot-utils/helix-analysis.hh +include/coot/coot-utils/lsq-improve.hh +include/coot/coot-utils/peak-search.hh +include/coot/coot-utils/plane-utils.hh +include/coot/coot-utils/read-sm-cif.hh +include/coot/coot-utils/reduce.hh +include/coot/coot-utils/secondary-structure-headers.hh +include/coot/coot-utils/tree.hh +include/coot/coot-utils/xmap-stats.hh +include/coot/crunch-model.hh +include/coot/db-main/db-main.hh +include/coot/db-main/db-strands.hh +include/coot/density-contour/CIsoSurface.h +include/coot/density-contour/Vectors.h +include/coot/density-contour/density-contour-triangles.hh +include/coot/geometry/chem_mods.hh +include/coot/geometry/dict-mismatches.hh +include/coot/geometry/dict-utils.hh +include/coot/geometry/energy-lib.hh +include/coot/geometry/hb-types.hh +include/coot/geometry/lbg-graph.hh +include/coot/geometry/main-chain.hh +include/coot/geometry/match-results.hh +include/coot/geometry/mol-utils-2.hh +include/coot/geometry/protein-geometry.hh +include/coot/geometry/read-sbase.hh +include/coot/geometry/residue-and-atom-specs.hh +include/coot/geometry/srs-interface.hh +include/coot/high-res/coot-atom-graph.hh +include/coot/high-res/coot-node-info.hh +include/coot/high-res/high-res.hh +include/coot/high-res/sequence-assignment.hh +include/coot/ideal/extra-restraints.hh +include/coot/ideal/lograma.h +include/coot/ideal/model-bond-deltas.hh +include/coot/ideal/parallel-planes.hh +include/coot/ideal/pepflip.hh +include/coot/ideal/regularize-minimol.hh +include/coot/ideal/simple-restraint.hh +include/coot/ideal/test-indexing.hh +include/coot/ideal/torsion-bonds.hh +include/coot/lbg/alerts.hh +include/coot/lbg/graphics-c-interface-functions.hh +include/coot/lbg/lbg-drag-and-drop.hh +include/coot/lbg/lbg.hh +include/coot/lbg/qed-interface.hh +include/coot/lbg/solvent-exposure-difference.hh +include/coot/lbg/topological-equivalence.hh +include/coot/lbg/w-atom.hh +include/coot/lbg/w-bond.hh +include/coot/lbg/wmolecule.hh +include/coot/lidia-core/bond-record-container-t.hh +include/coot/lidia-core/bond-table-record-t.hh +include/coot/lidia-core/chemical-feature-clusters.hh +include/coot/lidia-core/cod-atom-type-t.hh +include/coot/lidia-core/cod-atom-types.hh +include/coot/lidia-core/cod-types.hh +include/coot/lidia-core/lbg-molfile.hh +include/coot/lidia-core/lbg-shared.hh +include/coot/lidia-core/lig-build.hh +include/coot/lidia-core/neighbour-sorter.hh +include/coot/lidia-core/primes.hh +include/coot/lidia-core/rdkit-interface.hh +include/coot/lidia-core/third-neighbour-info-t.hh +include/coot/lidia-core/use-rdkit.hh +include/coot/ligand/backrub-rotamer.hh +include/coot/ligand/base-pairing.hh +include/coot/ligand/chi-angles.hh +include/coot/ligand/dipole.hh +include/coot/ligand/dunbrack.hh +include/coot/ligand/fast-ss-search.hh +include/coot/ligand/helix-placement.hh +include/coot/ligand/ideal-rna.hh +include/coot/ligand/ligand-score-card.hh +include/coot/ligand/ligand.hh +include/coot/ligand/ligands-db.hh +include/coot/ligand/map-point-cluster.hh +include/coot/ligand/monomer-utils.hh +include/coot/ligand/multi-peptide.hh +include/coot/ligand/primitive-chi-angles.hh +include/coot/ligand/residue_by_phi_psi.hh +include/coot/ligand/richardson-rotamer.hh +include/coot/ligand/rigid-body.hh +include/coot/ligand/rotamer.hh +include/coot/ligand/scored-coord.hh +include/coot/ligand/scored-molecule.hh +include/coot/ligand/torsion-general.hh +include/coot/ligand/trace.hh +include/coot/ligand/wligand.hh +include/coot/mini-mol/atom-quads.hh +include/coot/mini-mol/mini-mol-utils.hh +include/coot/mini-mol/mini-mol.hh +include/coot/pli/flev-annotations.hh +include/coot/pli/pi-stacking.hh +include/coot/pli/protein-ligand-interactions.hh +include/coot/pli/specs.hh +include/coot/protein_db/protein_db.h +include/coot/protein_db/protein_db_utils.h +include/coot/protein_db/rna_db.h +include/coot/skeleton/BuildCas.h +include/coot/skeleton/dm-utils.h +include/coot/skeleton/graphical_skel.h +include/coot/tw/coot-tw.hh +include/coot/utils/coot-fasta.hh +include/coot/utils/coot-utils.hh +include/coot/utils/ctpl_stl.h +include/coot/utils/dodec.hh +include/coot/utils/pir-alignment.hh +include/coot/utils/win-compat.hh +lib/libccp4mg-utils.so +lib/libccp4mg-utils.so.0 +lib/libccp4mg-utils.so.0.0.0 +lib/libcoot-AngleInfo.so +lib/libcoot-AngleInfo.so.0 +lib/libcoot-AngleInfo.so.0.0.0 +lib/libcoot-analysis.so +lib/libcoot-analysis.so.0 +lib/libcoot-analysis.so.0.0.0 +lib/libcoot-cabuild.so +lib/libcoot-cabuild.so.0 +lib/libcoot-cabuild.so.0.0.0 +lib/libcoot-compat.so +lib/libcoot-compat.so.0 +lib/libcoot-compat.so.0.0.0 +lib/libcoot-coord-extras.so +lib/libcoot-coord-extras.so.0 +lib/libcoot-coord-extras.so.0.0.0 +lib/libcoot-coord-utils.so +lib/libcoot-coord-utils.so.0 +lib/libcoot-coord-utils.so.0.0.0 +lib/libcoot-coords.so +lib/libcoot-coords.so.0 +lib/libcoot-coords.so.0.0.0 +lib/libcoot-db-main.so +lib/libcoot-db-main.so.0 +lib/libcoot-db-main.so.0.0.0 +lib/libcoot-electrostatics.so +lib/libcoot-electrostatics.so.0 +lib/libcoot-electrostatics.so.0.0.0 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