BSD Portsscience/votca 2026_6 FreeBSD
CSG and XTP: libraries for atomistic simulations
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
8199760bb0- License
- APACHE20
- Categories
- science
Description
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.
Install
Binary package:
pkg install votcaFrom the ports tree:
cd /usr/ports/science/votca/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= votca>0:science/votca
LIB_DEPENDS= libvotca_csg.so:science/votcaPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | - | 2026_6 | - | - | - |
| FreeBSD:14:quarterly | - | 2026_6 | n/a | - | - |
| FreeBSD:15:latest | - | 2026_6 | n/a | - | - |
| FreeBSD:15:quarterly | - | 2026_6 | n/a | n/a | n/a |
| FreeBSD:16:latest | - | 2026_6 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Build 7
bash: shells/bashlmp: science/lammps${PYTHON_PKGNAMEPREFIX}ase>0: science/py-ase${PYTHON_PKGNAMEPREFIX}h5py>0: science/py-h5py${PYTHON_PKGNAMEPREFIX}lxml>0: devel/py-lxml${PYTHON_PKGNAMEPREFIX}xmltodict>0: devel/py-xmltodictrdkit>0: science/rdkit
Library 9
libboost_program_options.so: devel/boost-libslibecpint.so: science/libecpintlibexpat.so: textproc/expat2libfftw3.so: math/fftw3libgromacs_d.so: science/gromacslibhdf5.so: science/hdf5libint2.so: science/libint2libsz.so: science/libaeclibxc.so: science/libxc
Runtime 7
bash: shells/bash${PYTHON_PKGNAMEPREFIX}numpy>=1.16: math/py-numpy${PYTHON_PKGNAMEPREFIX}ase>0: science/py-ase${PYTHON_PKGNAMEPREFIX}h5py>0: science/py-h5py${PYTHON_PKGNAMEPREFIX}lxml>0: devel/py-lxml${PYTHON_PKGNAMEPREFIX}xmltodict>0: devel/py-xmltodictrdkit>0: science/rdkit
Test 1
${PYTHON_PKGNAMEPREFIX}pytest>0: devel/py-pytest
The full lists below include those, and their dependencies in turn.
Build dependencies 161
- archivers/brotli
- archivers/libdeflate
- archivers/liblz4
- archivers/lzo2
- archivers/py-brotli
- archivers/py-zopfli
- archivers/zopfli
- archivers/zstd
- audio/lame
- audio/libogg
- audio/libvorbis
- audio/mpg123
- audio/opus
- converters/fribidi
- converters/libiconv
- devel/binutils
- devel/boost-libs
- devel/boost-python-libs
- devel/cmake-core
- devel/gettext-runtime
- devel/glib20
- devel/hwloc2
- devel/icu
- devel/jsoncpp
- devel/kokkos
- devel/level-zero
- devel/libevent
- devel/libffi
- devel/libinotify
- devel/libltdl
- devel/libpciaccess
- devel/libunistring
- devel/libuv
- devel/ninja
- devel/pcre2
- devel/pkgconf
- devel/py-cycler
- devel/py-lxml
- devel/py-olefile
- devel/py-packaging
- devel/py-pyparsing
- devel/py-python-dateutil
- devel/py-six
- devel/py-unicodedata2
- devel/py-xmltodict
- devel/readline
- dns/libidn2
- dns/libpsl
- ftp/curl
- graphics/cairo
- graphics/gdk-pixbuf2
- graphics/giflib
- graphics/graphite2
- graphics/jbigkit
- graphics/jpeg-turbo
- graphics/lcms2
- graphics/lerc
- graphics/libavif
- graphics/libimagequant
- graphics/libyuv
- graphics/openjpeg
- graphics/png
- graphics/py-pillow
- graphics/tiff
- graphics/webp
- lang/gcc14
- lang/perl5.42
- lang/python312
- lang/python315
- lang/tcl86
- math/blas
- math/eigen3
- math/fftw3
- math/gmp
- math/gsl
- math/lapack
- math/lmfit
- math/mpc
- math/mpdecimal
- math/mpfr
- math/muparser
- math/openblas
- math/py-contourpy
- math/py-kiwisolver
- math/py-matplotlib
- math/py-numpy
- math/qhull
- misc/hwdata
- misc/shared-mime-info
- multimedia/aom
- multimedia/dav1d
- multimedia/ffmpeg
- multimedia/libass
- multimedia/libbluray
- multimedia/libdvdcss
- multimedia/libdvdnav
- multimedia/libdvdread
- multimedia/libudfread
- multimedia/libvpx
- multimedia/libx264
The first 100 are listed.
Run dependencies 113
- archivers/brotli
- archivers/libdeflate
- archivers/liblz4
- archivers/lzo2
- archivers/py-brotli
- archivers/py-zopfli
- archivers/zopfli
- archivers/zstd
- converters/fribidi
- converters/libiconv
- devel/binutils
- devel/boost-libs
- devel/boost-python-libs
- devel/gettext-runtime
- devel/glib20
- devel/hwloc2
- devel/icu
- devel/level-zero
- devel/libffi
- devel/libinotify
- devel/libpciaccess
- devel/pcre2
- devel/py-cycler
- devel/py-lxml
- devel/py-olefile
- devel/py-packaging
- devel/py-pyparsing
- devel/py-python-dateutil
- devel/py-six
- devel/py-unicodedata2
- devel/py-xmltodict
- devel/readline
- graphics/cairo
- graphics/gdk-pixbuf2
- graphics/giflib
- graphics/graphite2
- graphics/jbigkit
- graphics/jpeg-turbo
- graphics/lcms2
- graphics/lerc
- graphics/libavif
- graphics/libimagequant
- graphics/libyuv
- graphics/openjpeg
- graphics/png
- graphics/py-pillow
- graphics/tiff
- graphics/webp
- lang/gcc14
- lang/perl5.42
- lang/python312
- lang/python315
- lang/tcl86
- math/blas
- math/fftw3
- math/gmp
- math/lapack
- math/lmfit
- math/mpc
- math/mpdecimal
- math/mpfr
- math/muparser
- math/openblas
- math/py-contourpy
- math/py-kiwisolver
- math/py-matplotlib
- math/py-numpy
- math/qhull
- misc/hwdata
- misc/shared-mime-info
- multimedia/aom
- multimedia/dav1d
- multimedia/vmaf
- print/adobe-cmaps
- print/freetype2
- print/harfbuzz
- print/indexinfo
- print/libraqm
- print/py-fonttools
- print/py-reportlab
- science/gromacs
- science/hdf5
- science/libaec
- science/libecpint
- science/libint2
- science/libxc
- science/py-ase
- science/py-h5py
- science/py-scipy
- science/rdkit
- security/libgcrypt
- security/libgpg-error
- shells/bash
- textproc/expat2
- textproc/libxml2
- textproc/libxslt
- textproc/pugixml
- textproc/tinyxml2
- x11-fonts/fontconfig
- x11-fonts/libXft
The first 100 are listed.
No port depends on this one.
Configuration
Options name: science_votca
| Option | Default | Description |
|---|---|---|
| APPS | on | Build applications |
- USES
- cmake compiler:c++14-lang eigen:3 perl5 pkgconfig python:run shebangfix
- Service scripts
- none
Files
Manual pages 27
- csg_density(1)
- csg_dlptopol(1)
- csg_dump(1)
- csg_fluctuations(1)
- csg_fmatch(1)
- csg_gmxtopol(1)
- csg_imc_solve(1)
- csg_map(1)
- csg_orientcorr(1)
- csg_part_dist(1)
- csg_partial_rdf(1)
- csg_radii(1)
- csg_reupdate(1)
- csg_sphericalorder(1)
- csg_stat(1)
- csg_traj_force(1)
- votca-csg(7)
- votca-tools(7)
- xtp_autogen_mapping(1)
- xtp_basisset(1)
- xtp_map(1)
- xtp_modify_jobfile(1)
- xtp_parallel(1)
- xtp_qmmm2qm(1)
- xtp_run(1)
- xtp_tools(1)
- xtp_update_mapfile(1)
pkg-plist 618
- bin/VOTCARC.bash
- bin/csg_density
- bin/csg_dlptopol
- bin/csg_dump
- bin/csg_fluctuations
- bin/csg_fmatch
- bin/csg_gmxtopol
- bin/csg_imc_solve
- bin/csg_map
- bin/csg_orientcorr
- bin/csg_part_dist
- bin/csg_partial_rdf
- bin/csg_radii
- bin/csg_reupdate
- bin/csg_sphericalorder
- bin/csg_stat
- bin/csg_traj_force
- bin/xtp_autogen_mapping
- bin/xtp_basisset
- bin/xtp_map
- bin/xtp_modify_jobfile
- bin/xtp_parallel
- bin/xtp_qmmm2qm
- bin/xtp_run
- bin/xtp_tools
- bin/xtp_update_mapfile
- 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/NDimVector.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/eigenio_matrixmarket.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
The first 100 are listed.
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| votca-votca-v2026_GH0.tar.gz | 4.0248995e+07 | bf5827e93aecdfd040131ef8427f49efac4ea87d30882c2eb83fea16a054fbc8 |