Index: head/science/Makefile =================================================================== --- head/science/Makefile (revision 534003) +++ head/science/Makefile (revision 534004) @@ -1,346 +1,347 @@ # $FreeBSD$ # COMMENT = Scientific ports SUBDIR += 2d-rewriter SUBDIR += ALPSCore SUBDIR += InsightToolkit SUBDIR += PETSc SUBDIR += R-cran-AMORE SUBDIR += R-cran-DCluster SUBDIR += R-cran-Epi SUBDIR += R-cran-FAdist 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 += agrum SUBDIR += aircraft-datcom SUBDIR += antioch SUBDIR += apbs SUBDIR += atom SUBDIR += atompaw SUBDIR += avogadro2 SUBDIR += avogadrolibs SUBDIR += bagel SUBDIR += bddsolve SUBDIR += berkeleygw SUBDIR += bodr SUBDIR += brian SUBDIR += buddy SUBDIR += cdcl SUBDIR += cdf SUBDIR += cdk 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 += code_saturne SUBDIR += colt SUBDIR += coordgenlibs SUBDIR += cp2k SUBDIR += cp2k-data SUBDIR += crf++ SUBDIR += dalton SUBDIR += datawarrior SUBDIR += dcl SUBDIR += devisor SUBDIR += dftbplus SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += dlpoly-classic SUBDIR += drawxtl SUBDIR += dvc SUBDIR += eccodes SUBDIR += elk SUBDIR += elmerfem SUBDIR += epte SUBDIR += erd SUBDIR += erkale SUBDIR += erkale-pseudopotentials SUBDIR += esys-particle SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab SUBDIR += fleur SUBDIR += fsom SUBDIR += fvcom SUBDIR += fvcom-mpi SUBDIR += gabedit SUBDIR += gamess-us SUBDIR += gchemutils SUBDIR += gdma SUBDIR += getdp SUBDIR += ghemical SUBDIR += ghmm SUBDIR += gnudatalanguage SUBDIR += gpaw-setups SUBDIR += gramps SUBDIR += grib_api SUBDIR += gromacs SUBDIR += gsmc SUBDIR += gtamsanalyzer SUBDIR += h5utils SUBDIR += h5z-zfp SUBDIR += harminv SUBDIR += hdf SUBDIR += hdf5 SUBDIR += hdf5-18 SUBDIR += healpix SUBDIR += highfive SUBDIR += hypre SUBDIR += iboview SUBDIR += isaac-cfd SUBDIR += jdftx SUBDIR += jmol SUBDIR += jstrack SUBDIR += kalzium SUBDIR += kim-api SUBDIR += kst2 SUBDIR += lammps SUBDIR += lamprop SUBDIR += latte SUBDIR += libaec SUBDIR += libccp4 SUBDIR += libcint SUBDIR += libctl SUBDIR += libefp SUBDIR += libgeodecomp SUBDIR += libghemical SUBDIR += libgridxc SUBDIR += libint SUBDIR += libint2 SUBDIR += libkml SUBDIR += liblinear SUBDIR += libmsym SUBDIR += liboglappth SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm SUBDIR += libsvm-python SUBDIR += libvdwxc SUBDIR += libxc SUBDIR += liggghts SUBDIR += lm SUBDIR += luscus SUBDIR += madness SUBDIR += maeparser SUBDIR += massxpert SUBDIR += mbdyn SUBDIR += mcstas SUBDIR += mcstas-comps SUBDIR += mcxtrace SUBDIR += mcxtrace-comps SUBDIR += mdynamix SUBDIR += medit SUBDIR += metaphysicl SUBDIR += minc2 SUBDIR += mmdb2 SUBDIR += mmtf-cpp SUBDIR += mol2ps SUBDIR += molgif SUBDIR += molscript SUBDIR += molsketch SUBDIR += mpb SUBDIR += mpqc SUBDIR += msms SUBDIR += multiwfn SUBDIR += namd SUBDIR += nest SUBDIR += netcdf SUBDIR += netcdf-cxx SUBDIR += netcdf-fortran SUBDIR += nifticlib SUBDIR += nwchem SUBDIR += nwchem-data SUBDIR += octopus SUBDIR += openbabel SUBDIR += openkim SUBDIR += openkim-models SUBDIR += openmx SUBDIR += opensim-core SUBDIR += opensph SUBDIR += opsin 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 += packmol SUBDIR += pagmo2 SUBDIR += paje SUBDIR += paraview SUBDIR += pcmsolver SUBDIR += plumed SUBDIR += pnetcdf SUBDIR += pulseview SUBDIR += py-DendroPy SUBDIR += py-GPy SUBDIR += py-GPyOpt SUBDIR += py-MDAnalysis SUBDIR += py-MDAnalysisTests SUBDIR += py-OpenFermion SUBDIR += py-PyFR SUBDIR += py-PyQuante SUBDIR += py-SimpleSpectral SUBDIR += py-abipy SUBDIR += py-asdf SUBDIR += py-ase SUBDIR += py-avogadrolibs SUBDIR += py-cdo SUBDIR += py-chainer SUBDIR += py-chainer-chemistry SUBDIR += py-chempy SUBDIR += py-coards SUBDIR += py-dlib SUBDIR += py-eccodes-python SUBDIR += py-geolinks SUBDIR += py-geomet SUBDIR += py-geometer SUBDIR += py-gpaw SUBDIR += py-gsd SUBDIR += py-h5json SUBDIR += py-h5py SUBDIR += py-kim-query SUBDIR += py-kinematics SUBDIR += py-kliff SUBDIR += py-lifelines SUBDIR += py-mdp SUBDIR += py-mlpy SUBDIR += py-mmtf-python SUBDIR += py-molmod SUBDIR += py-netCDF4 SUBDIR += py-obspy SUBDIR += py-oddt SUBDIR += py-openpiv SUBDIR += py-paida SUBDIR += py-paramz SUBDIR += py-phono3py SUBDIR += py-phonopy SUBDIR += py-pupynere SUBDIR += py-pyaixi SUBDIR += py-pycsw SUBDIR += py-pydicom SUBDIR += py-pygeodesy SUBDIR += py-pygeometa SUBDIR += py-pymatgen SUBDIR += py-pymol SUBDIR += py-pyosf SUBDIR += py-pysal SUBDIR += py-pyteomics SUBDIR += py-qcelemental SUBDIR += py-qcengine SUBDIR += py-qspin SUBDIR += py-quantities SUBDIR += py-rmf SUBDIR += py-rmsd SUBDIR += py-ruffus SUBDIR += py-scikit-fuzzy SUBDIR += py-scikit-learn SUBDIR += py-scikit-optimize SUBDIR += py-scikit-sparse SUBDIR += py-scimath SUBDIR += py-scipy SUBDIR += py-scoria SUBDIR += py-spglib SUBDIR += py-tensorflow SUBDIR += py-tensorflow-estimator SUBDIR += py-veusz SUBDIR += py-ws2300 SUBDIR += pybrain SUBDIR += pynn SUBDIR += qbox SUBDIR += qcl SUBDIR += qiskit-aer SUBDIR += qmcpack SUBDIR += quantum-espresso SUBDIR += quantum-espresso-pseudopotentials 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 += scidavis SUBDIR += siesta SUBDIR += sigrok-cli SUBDIR += sigrok-firmware SUBDIR += sigrok-firmware-fx2lafw SUBDIR += sigrok-firmware-utils SUBDIR += silo SUBDIR += simbody SUBDIR += simgrid SUBDIR += simint SUBDIR += simlib SUBDIR += simsmith SUBDIR += smoldyn SUBDIR += sparta SUBDIR += spglib SUBDIR += step SUBDIR += svmlight SUBDIR += szip SUBDIR += teem SUBDIR += tfel SUBDIR += tinker SUBDIR += udunits SUBDIR += v_sim SUBDIR += vipster + SUBDIR += votca SUBDIR += vmd SUBDIR += voro++ SUBDIR += wannier90 SUBDIR += wwplot SUBDIR += wxmacmolplt SUBDIR += xcrysden SUBDIR += xdrawchem SUBDIR += xfce4-equake-plugin SUBDIR += yoda .include Index: head/science/votca/Makefile =================================================================== --- head/science/votca/Makefile (nonexistent) +++ head/science/votca/Makefile (revision 534004) @@ -0,0 +1,34 @@ +# $FreeBSD$ + +PORTNAME= votca +DISTVERSIONPREFIX= v +DISTVERSION= 1.6 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= CSG and XTP: libraries for atomistic simulations + +LICENSE= APACHE20 + +RUN_DEPENDS= bash:shells/bash +LIB_DEPENDS= libboost_program_options.so:devel/boost-libs \ + libexpat.so:textproc/expat2 \ + libfftw3.so:math/fftw3 \ + libhdf5.so:science/hdf5 \ + libsz.so:science/szip + +USES= cmake eigen:3 perl5 pkgconfig python:run shebangfix +SHEBANG_GLOB= *.sh *.pl *.py +SHEBANG_FILES= csg/scripts/csg_call.in csg/scripts/csg_inverse.in tools/scripts/votca_compare.in +USE_GITHUB= yes +USE_LDCONFIG= yes +GH_TUPLE= \ + votca:tools:c34ee0244cd2e6c8772ce239b3045294d911736d:votca_tools/tools \ + votca:csg:6bb24ff260c87d1cf1b89d91dc12901eb462d974:votca_csg/csg \ + votca:csgapps:a26503c0aaa10b024a59180d15dde9c7e11256a4:votca_csgapps/csgapps \ + votca:xtp:24260506ccb4de0e82add46ab1cd43b9e8130807:votca_xtp/xtp \ + votca:csg-tutorials:dd8df99ce7548e2ad7c819fcd8e617946d532493:votca_csg_tutorials/csg-tutorials \ + votca:csg-manual:85fbc7e8a7469db31eb3597f9c651d51a4ef5d2b:votca_csg_manual/csg-manual \ + votca:xtp-tutorials:a7a608b5752db59f6d94482ff5ace36e7faa21aa:votca_xtp_tutorials/xtp-tutorials + +.include Property changes on: head/science/votca/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/votca/distinfo =================================================================== --- head/science/votca/distinfo (nonexistent) +++ head/science/votca/distinfo (revision 534004) @@ -0,0 +1,17 @@ +TIMESTAMP = 1588623192 +SHA256 (votca-votca-v1.6_GH0.tar.gz) = c67e02cc1d03a2d110ac998be8a1d2311887cde436d23a52b1727af0a0af52a5 +SIZE (votca-votca-v1.6_GH0.tar.gz) = 22481 +SHA256 (votca-tools-c34ee0244cd2e6c8772ce239b3045294d911736d_GH0.tar.gz) = 5c4fca0890a31debadde5fea322917be81a8e3bbcbfd3a1cc9af10d5e95a2fa4 +SIZE (votca-tools-c34ee0244cd2e6c8772ce239b3045294d911736d_GH0.tar.gz) = 112254 +SHA256 (votca-csg-6bb24ff260c87d1cf1b89d91dc12901eb462d974_GH0.tar.gz) = d95bc71c450cc22a1e2a9df1ec8ec3497c16852844a7bf6e4bbdf69a1fab924d +SIZE (votca-csg-6bb24ff260c87d1cf1b89d91dc12901eb462d974_GH0.tar.gz) = 467684 +SHA256 (votca-csgapps-a26503c0aaa10b024a59180d15dde9c7e11256a4_GH0.tar.gz) = 1bcacc350bd59582030f561967174cbbda9b48f10a66d342243fa047bbb91748 +SIZE (votca-csgapps-a26503c0aaa10b024a59180d15dde9c7e11256a4_GH0.tar.gz) = 20219 +SHA256 (votca-xtp-24260506ccb4de0e82add46ab1cd43b9e8130807_GH0.tar.gz) = 37a56c08b1a6ed3d316c169251dae58530728393f88d6111cc170da36317a5bc +SIZE (votca-xtp-24260506ccb4de0e82add46ab1cd43b9e8130807_GH0.tar.gz) = 1373747 +SHA256 (votca-csg-tutorials-dd8df99ce7548e2ad7c819fcd8e617946d532493_GH0.tar.gz) = 1b77b73c7c6e3c00b785ea55f9b1d5ae8b6469e191e0e9b8f7e637d9cfd4ce5b +SIZE (votca-csg-tutorials-dd8df99ce7548e2ad7c819fcd8e617946d532493_GH0.tar.gz) = 5947296 +SHA256 (votca-csg-manual-85fbc7e8a7469db31eb3597f9c651d51a4ef5d2b_GH0.tar.gz) = f2e18f5e92c1626fbae015ec68257854fadc7a07bff51782b1c0b9066ddc346c +SIZE (votca-csg-manual-85fbc7e8a7469db31eb3597f9c651d51a4ef5d2b_GH0.tar.gz) = 3575781 +SHA256 (votca-xtp-tutorials-a7a608b5752db59f6d94482ff5ace36e7faa21aa_GH0.tar.gz) = 45c5c56e6cce336cfd23c584fbe9e9bd1b14831f92e533c536425c1a57d1cbd2 +SIZE (votca-xtp-tutorials-a7a608b5752db59f6d94482ff5ace36e7faa21aa_GH0.tar.gz) = 46194748 Property changes on: head/science/votca/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/votca/pkg-descr =================================================================== --- head/science/votca/pkg-descr (nonexistent) +++ head/science/votca/pkg-descr (revision 534004) @@ -0,0 +1,7 @@ +The Votca package contains two libraries: +* VOTCA-CSG, a library which provides tools to develop coarse-grained potentials + from atomistic simulation data +* VOTCA-XTP, a library designed to determine electronic properties of organic + materials from atomistic MD-trajectories. + +WWW: https://github.com/votca/votca Property changes on: head/science/votca/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/votca/pkg-plist =================================================================== --- head/science/votca/pkg-plist (nonexistent) +++ head/science/votca/pkg-plist (revision 534004) @@ -0,0 +1,747 @@ +bin/VOTCARC.bash +bin/VOTCARC.csh +bin/csg_boltzmann +bin/csg_call +bin/csg_density +bin/csg_dlptopol +bin/csg_dump +bin/csg_fmatch +bin/csg_gmxtopol +bin/csg_imc_solve +bin/csg_inverse +bin/csg_map +bin/csg_property +bin/csg_resample +bin/csg_reupdate +bin/csg_stat +bin/votca_compare +bin/votca_property +include/votca/csg/basebead.h +include/votca/csg/bead.h +include/votca/csg/beadlist.h +include/votca/csg/beadmotif.h +include/votca/csg/beadmotifalgorithms.h +include/votca/csg/beadmotifconnector.h +include/votca/csg/beadpair.h +include/votca/csg/beadstructure.h +include/votca/csg/beadstructurealgorithms.h +include/votca/csg/beadtriple.h +include/votca/csg/boundarycondition.h +include/votca/csg/cgengine.h +include/votca/csg/cgmoleculedef.h +include/votca/csg/cgobserver.h +include/votca/csg/csgapplication.h +include/votca/csg/exclusionlist.h +include/votca/csg/fileformatfactory.h +include/votca/csg/imcio.h +include/votca/csg/interaction.h +include/votca/csg/map.h +include/votca/csg/molecule.h +include/votca/csg/moleculeitem.h +include/votca/csg/nblist.h +include/votca/csg/nblist_3body.h +include/votca/csg/nblistgrid.h +include/votca/csg/nblistgrid_3body.h +include/votca/csg/nematicorder.h +include/votca/csg/openbox.h +include/votca/csg/orthorhombicbox.h +include/votca/csg/pairlist.h +include/votca/csg/pdbwriter.h +include/votca/csg/potentialfunction.h +include/votca/csg/potentialfunctioncbspl.h +include/votca/csg/potentialfunctionlj126.h +include/votca/csg/potentialfunctionljg.h +include/votca/csg/residue.h +include/votca/csg/topology.h +include/votca/csg/topologymap.h +include/votca/csg/topologyreader.h +include/votca/csg/trajectoryreader.h +include/votca/csg/trajectorywriter.h +include/votca/csg/triclinicbox.h +include/votca/csg/triplelist.h +include/votca/csg/units.h +include/votca/csg/version.h +include/votca/csg/xyzreader.h +include/votca/csg/xyzwriter.h +include/votca/tools/akimaspline.h +include/votca/tools/application.h +include/votca/tools/average.h +include/votca/tools/calculator.h +include/votca/tools/colors.h +include/votca/tools/constants.h +include/votca/tools/correlate.h +include/votca/tools/crosscorrelate.h +include/votca/tools/cubicspline.h +include/votca/tools/datacollection.h +include/votca/tools/edge.h +include/votca/tools/edgecontainer.h +include/votca/tools/eigen.h +include/votca/tools/eigensystem.h +include/votca/tools/elements.h +include/votca/tools/filesystem.h +include/votca/tools/floatingpointcomparison.h +include/votca/tools/getline.h +include/votca/tools/globals.h +include/votca/tools/graph.h +include/votca/tools/graph_bf_visitor.h +include/votca/tools/graph_df_visitor.h +include/votca/tools/graphalgorithm.h +include/votca/tools/graphdistvisitor.h +include/votca/tools/graphnode.h +include/votca/tools/graphvisitor.h +include/votca/tools/histogram.h +include/votca/tools/histogramnew.h +include/votca/tools/identity.h +include/votca/tools/lexical_cast.h +include/votca/tools/linalg.h +include/votca/tools/linspline.h +include/votca/tools/mutex.h +include/votca/tools/name.h +include/votca/tools/objectfactory.h +include/votca/tools/property.h +include/votca/tools/propertyiomanipulator.h +include/votca/tools/random.h +include/votca/tools/rangeparser.h +include/votca/tools/reducededge.h +include/votca/tools/reducedgraph.h +include/votca/tools/spline.h +include/votca/tools/structureparameters.h +include/votca/tools/table.h +include/votca/tools/thread.h +include/votca/tools/tokenizer.h +include/votca/tools/types.h +include/votca/tools/unitconverter.h +include/votca/tools/version.h +include/votca/tools/votca_config.h +lib/cmake/VOTCA_CSG/VOTCA_CSGConfig.cmake +lib/cmake/VOTCA_CSG/VOTCA_CSGConfigVersion.cmake +lib/cmake/VOTCA_CSG/VOTCA_CSG_Targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/VOTCA_CSG/VOTCA_CSG_Targets.cmake +lib/cmake/VOTCA_TOOLS/FindFFTW3.cmake +lib/cmake/VOTCA_TOOLS/VOTCA_TOOLSConfig.cmake +lib/cmake/VOTCA_TOOLS/VOTCA_TOOLSConfigVersion.cmake +lib/cmake/VOTCA_TOOLS/VOTCA_TOOLS_Targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/VOTCA_TOOLS/VOTCA_TOOLS_Targets.cmake +lib/libvotca_csg.so +lib/libvotca_csg.so.7 +lib/libvotca_tools.so +lib/libvotca_tools.so.7 +man/man1/votca_property.1.gz +man/man7/votca-tools.7.gz +%%DATADIR%%/csg-tutorials/.travis.yml +%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/LJ1-LJ1.dist.tgt 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+%%DATADIR%%/scripts/inverse/postadd_overwrite.sh +%%DATADIR%%/scripts/inverse/postadd_plot.sh +%%DATADIR%%/scripts/inverse/postadd_shift.sh +%%DATADIR%%/scripts/inverse/postupd_addlj.sh +%%DATADIR%%/scripts/inverse/postupd_cibi_correction.sh +%%DATADIR%%/scripts/inverse/postupd_extrapolate.sh +%%DATADIR%%/scripts/inverse/postupd_kbibi_correction.sh +%%DATADIR%%/scripts/inverse/postupd_pressure.sh +%%DATADIR%%/scripts/inverse/postupd_scale.sh +%%DATADIR%%/scripts/inverse/postupd_smooth.sh +%%DATADIR%%/scripts/inverse/postupd_splinesmooth.sh +%%DATADIR%%/scripts/inverse/potential_extrapolate.sh +%%DATADIR%%/scripts/inverse/potential_shift.pl +%%DATADIR%%/scripts/inverse/potential_to_dlpoly.sh +%%DATADIR%%/scripts/inverse/potential_to_generic.sh +%%DATADIR%%/scripts/inverse/potential_to_gromacs.sh +%%DATADIR%%/scripts/inverse/potential_to_lammps.sh +%%DATADIR%%/scripts/inverse/potentials_to_dlpoly.sh +%%DATADIR%%/scripts/inverse/potentials_to_generic.sh +%%DATADIR%%/scripts/inverse/pre_update_re.sh +%%DATADIR%%/scripts/inverse/prepare_generic.sh +%%DATADIR%%/scripts/inverse/prepare_generic_single.sh +%%DATADIR%%/scripts/inverse/prepare_imc.sh +%%DATADIR%%/scripts/inverse/prepare_optimizer.sh +%%DATADIR%%/scripts/inverse/prepare_optimizer_single.sh +%%DATADIR%%/scripts/inverse/prepare_re.sh +%%DATADIR%%/scripts/inverse/pressure_cor_simple.pl +%%DATADIR%%/scripts/inverse/pressure_cor_wjk.pl +%%DATADIR%%/scripts/inverse/resample_target.sh +%%DATADIR%%/scripts/inverse/run_genericsim.sh +%%DATADIR%%/scripts/inverse/run_gromacs.sh +%%DATADIR%%/scripts/inverse/simplex_downhill_processor.pl +%%DATADIR%%/scripts/inverse/skeleton.pl +%%DATADIR%%/scripts/inverse/skeleton.sh +%%DATADIR%%/scripts/inverse/start_framework.sh +%%DATADIR%%/scripts/inverse/table_average.sh +%%DATADIR%%/scripts/inverse/table_change_flag.sh +%%DATADIR%%/scripts/inverse/table_combine.pl +%%DATADIR%%/scripts/inverse/table_dummy.sh +%%DATADIR%%/scripts/inverse/table_extrapolate.pl +%%DATADIR%%/scripts/inverse/table_functional.sh +%%DATADIR%%/scripts/inverse/table_get_value.pl +%%DATADIR%%/scripts/inverse/table_integrate.pl +%%DATADIR%%/scripts/inverse/table_linearop.pl +%%DATADIR%%/scripts/inverse/table_scale.pl +%%DATADIR%%/scripts/inverse/table_smooth.pl +%%DATADIR%%/scripts/inverse/table_switch_border.pl +%%DATADIR%%/scripts/inverse/table_to_tab.pl +%%DATADIR%%/scripts/inverse/table_to_xvg.pl +%%DATADIR%%/scripts/inverse/tables_jackknife.pl +%%DATADIR%%/scripts/inverse/tag_file.sh +%%DATADIR%%/scripts/inverse/update_ibi.sh +%%DATADIR%%/scripts/inverse/update_ibi_pot.pl +%%DATADIR%%/scripts/inverse/update_ibi_single.sh +%%DATADIR%%/scripts/inverse/update_imc.sh +%%DATADIR%%/scripts/inverse/update_imc_single.sh +%%DATADIR%%/scripts/inverse/update_optimizer.sh +%%DATADIR%%/scripts/inverse/update_optimizer_single.sh +%%DATADIR%%/scripts/inverse/update_re.sh +%%DATADIR%%/template/CMakeLists.txt +%%DATADIR%%/template/template_serial.cc +%%DATADIR%%/template/template_threaded.cc +%%DATADIR%%/xml/csg_defaults.xml +%%DATADIR%%/xml/mapping.xml +%%DATADIR%%/xml/topol.xml Property changes on: head/science/votca/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