Port details on branch 2022Q2 |
- votca CSG and XTP: libraries for atomistic simulations
- 2023_1 science =0 2023Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2020-05-05 01:19:35
- Last Update: 2024-02-13 14:44:22
- Commit Hash: db61653
- License: APACHE20
- WWW:
- https://github.com/votca/votca
- 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.
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/science/votca/ && make install clean
- To add the package, run one of these commands:
- pkg install science/votca
- pkg install votca
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: votca
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1700276734
SHA256 (votca-votca-v2023_GH0.tar.gz) = ac78d2eb5a6694b76878d2ab1ec86bb161765143a447cc23905cdcb2bb6743be
SIZE (votca-votca-v2023_GH0.tar.gz) = 38975119
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- bash : shells/bash
- lmp : science/lammps
- py39-ase>0 : science/py-ase@py39
- py39-h5py>0 : science/py-h5py@py39
- py39-lxml>0 : devel/py-lxml@py39
- py39-xmltodict>0 : devel/py-xmltodict@py39
- rdkit>0 : science/rdkit
- cmake : devel/cmake-core
- ninja : devel/ninja
- eigen3.pc : math/eigen3
- pkgconf>=1.3.0_1 : devel/pkgconf
- perl5>=5.36<5.37 : lang/perl5.36
- Test dependencies:
-
- py39-pytest>0 : devel/py-pytest@py39
- Runtime dependencies:
-
- bash : shells/bash
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-ase>0 : science/py-ase@py39
- py39-h5py>0 : science/py-h5py@py39
- py39-lxml>0 : devel/py-lxml@py39
- py39-xmltodict>0 : devel/py-xmltodict@py39
- rdkit>0 : science/rdkit
- python3.9 : lang/python39
- perl5>=5.36<5.37 : lang/perl5.36
- Library dependencies:
-
- libboost_program_options.so : devel/boost-libs
- libecpint.so : science/libecpint
- libexpat.so : textproc/expat2
- libfftw3.so : math/fftw3
- libgromacs_d.so : science/gromacs
- libhdf5.so : science/hdf5
- libint2.so : science/libint2
- libsz.so : science/libaec
- libxc.so : science/libxc
- There are no ports dependent upon this port
Configuration Options:
- ===> The following configuration options are available for votca-2023_1:
APPS=on: Build applications
===> Use 'make config' to modify these settings
- Options name:
- science_votca
- USES:
- cmake compiler:c++14-lang eigen:3 perl5 pkgconfig python:run shebangfix
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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