votca

Install command:
brew install votca

Versatile Object-oriented Toolkit for Coarse-graining Applications

https://www.votca.org/

License: Apache-2.0

Development: Pull requests

Formula JSON API: /api/formula/votca.json

Formula code: votca.rb on GitHub

Bottle (binary package) installation support provided for:

macOS on
Apple Silicon
golden gate ✅
tahoe ✅
sequoia ✅
sonoma ✅
macOS on
Intel
sonoma ✅
Linux ARM64 ✅
x86_64 ✅

Current versions:

stable ✅ 2026

Revision: 1

Depends on:

boost 1.92.0 Collection of portable C++ source libraries
eigen 5.0.1 C++ template library for linear algebra
fftw 3.3.11 C routines to compute the Discrete Fourier Transform
gromacs 2026.3 Versatile package for molecular dynamics calculations
hdf5 2.2.0 File format designed to store large amounts of data
libecpint 1.0.7 Library for the efficient evaluation of integrals over effective core potentials
libint 2.13.1 Library for computing electron repulsion integrals efficiently
libxc 7.1.2 Library of exchange and correlation functionals for codes
libomp 23.1.2 LLVM's OpenMP runtime library

Depends on when building from source:

cmake 4.4.3 Cross-platform make
pkgconf 3.0.7 Package compiler and linker metadata toolkit
python@3.14 3.14.7 Interpreted, interactive, object-oriented programming language

Uses from macOS: expat

Binaries: csg_density, csg_dlptopol, csg_dump, csg_fluctuations, csg_fmatch, csg_gmxtopol, csg_imc_solve, csg_map, csg_orientcorr, csg_part_dist, csg_partial_rdf, csg_radii, csg_reupdate, csg_sphericalorder, csg_stat, csg_traj_force, xtp_map, xtp_parallel, xtp_run, xtp_tools

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