science/tblite 0.7.0 FreeBSD

Light-weight tight-binding framework

System: FreeBSD
Repository: FreeBSD ports
Maintainer: [email protected]
Last update: 2026-07-26
Commit: a07466c7a2
License: LGPL3+
Categories: science

Description

This project is an effort to create a library implementation of the extended tight binding (xTB) Hamiltonian which can be shared between xtb and dftb+. The current state of this project should be considered as highly experimental.

Install

Binary package:

pkg install tblite

From the ports tree:

cd /usr/ports/science/tblite/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	tblite>0:science/tblite
LIB_DEPENDS=	libtblite.so:science/tblite

Packages

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	-	0.7.0	-	-	0.7.0
FreeBSD:14:quarterly	-	0.7.0	n/a	-	0.7.0
FreeBSD:15:latest	-	0.7.0	n/a	-	0.4.0_1
FreeBSD:15:quarterly	-	0.7.0	n/a	n/a	n/a
FreeBSD:16:latest	-	0.7.0	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 1

mstore>0 : science/mstore

Library 6

libdftd4.so : science/dftd4
libmctc-lib.so : science/mctc-lib
libmulticharge.so : science/multicharge
libopenblas.so : math/openblas
libs-dftd3.so : science/simple-dftd3
libtoml-f.so : textproc/toml-f

The full lists below include those, and their dependencies in turn.

Build dependencies 24

Run dependencies 14

No port depends on this one.

Configuration

No options to configure.

USES: cmake:testing fortran
Service scripts: none

Files

pkg-plist 199

bin/tblite
include/tblite.h
include/tblite/calculator.h
include/tblite/container.h
include/tblite/context.h
include/tblite/double_dictionary.h
include/tblite/error.h
include/tblite/macros.h
include/tblite/param.h
include/tblite/result.h
include/tblite/solvation.h
include/tblite/structure.h
include/tblite/table.h
include/tblite/tblite_adjlist.mod
include/tblite/tblite_api_calculator.mod
include/tblite/tblite_api_container.mod
include/tblite/tblite_api_context.mod
include/tblite/tblite_api_double_dictionary.mod
include/tblite/tblite_api_error.mod
include/tblite/tblite_api_param.mod
include/tblite/tblite_api_result.mod
include/tblite/tblite_api_solvation.mod
include/tblite/tblite_api_structure.mod
include/tblite/tblite_api_table.mod
include/tblite/tblite_api_utils.mod
include/tblite/tblite_api_version.mod
include/tblite/tblite_basis.mod
include/tblite/tblite_basis_ortho.mod
include/tblite/tblite_basis_slater.mod
include/tblite/tblite_basis_type.mod
include/tblite/tblite_blas.mod
include/tblite/tblite_blas_level1.mod
include/tblite/tblite_blas_level2.mod
include/tblite/tblite_blas_level3.mod
include/tblite/tblite_ceh_ceh.mod
include/tblite/tblite_ceh_h0.mod
include/tblite/tblite_ceh_singlepoint.mod
include/tblite/tblite_classical_halogen.mod
include/tblite/tblite_container.mod
include/tblite/tblite_container_cache.mod
include/tblite/tblite_container_list.mod
include/tblite/tblite_container_type.mod
include/tblite/tblite_context.mod
include/tblite/tblite_context_logger.mod
include/tblite/tblite_context_solver.mod
include/tblite/tblite_context_terminal.mod
include/tblite/tblite_context_type.mod
include/tblite/tblite_coulomb.mod
include/tblite/tblite_coulomb_cache.mod
include/tblite/tblite_coulomb_charge.mod
include/tblite/tblite_coulomb_charge_effective.mod
include/tblite/tblite_coulomb_charge_gamma.mod
include/tblite/tblite_coulomb_charge_type.mod
include/tblite/tblite_coulomb_ewald.mod
include/tblite/tblite_coulomb_multipole.mod
include/tblite/tblite_coulomb_thirdorder.mod
include/tblite/tblite_coulomb_type.mod
include/tblite/tblite_cutoff.mod
include/tblite/tblite_data.mod
include/tblite/tblite_data_spin.mod
include/tblite/tblite_disp.mod
include/tblite/tblite_disp_cache.mod
include/tblite/tblite_disp_d3.mod
include/tblite/tblite_disp_d4.mod
include/tblite/tblite_disp_type.mod
include/tblite/tblite_double_dictionary.mod
include/tblite/tblite_external_field.mod
include/tblite/tblite_features.mod
include/tblite/tblite_fit_newuoa.mod
include/tblite/tblite_fit_settings.mod
include/tblite/tblite_integral_diat_trafo.mod
include/tblite/tblite_integral_dipole.mod
include/tblite/tblite_integral_multipole.mod
include/tblite/tblite_integral_overlap.mod
include/tblite/tblite_integral_trafo.mod
include/tblite/tblite_integral_type.mod
include/tblite/tblite_io_data.mod
include/tblite/tblite_io_data_hdf5.mod
include/tblite/tblite_io_data_npz.mod
include/tblite/tblite_io_data_type.mod
include/tblite/tblite_io_hdf5.mod
include/tblite/tblite_io_molden.mod
include/tblite/tblite_io_numpy.mod
include/tblite/tblite_io_numpy_constants.mod
include/tblite/tblite_io_numpy_crc32.mod
include/tblite/tblite_io_numpy_load.mod
include/tblite/tblite_io_numpy_loadz.mod
include/tblite/tblite_io_numpy_save.mod
include/tblite/tblite_io_numpy_savez.mod
include/tblite/tblite_io_numpy_utils.mod
include/tblite/tblite_io_numpy_zip.mod
include/tblite/tblite_io_tag.mod
include/tblite/tblite_io_trexio.mod
include/tblite/tblite_lapack.mod
include/tblite/tblite_lapack_getrf.mod
include/tblite/tblite_lapack_getri.mod
include/tblite/tblite_lapack_getrs.mod
include/tblite/tblite_lapack_potrf.mod
include/tblite/tblite_lapack_solver.mod
include/tblite/tblite_lapack_sygst.mod

The first 100 are listed.

distinfo 1

File

Size

SHA256

tblite-tblite-v0.7.0_GH0.tar.gz

880460

7864755e3faeef43a2f334a1679f6ece525eb604837e772c6623c042214ea39f

Commit history 1

Date Commit Credits Log message

2026-07-26 a07466c7a2 Yuri Victorovich science/tblite: update 0.6.0 → 0.7.0