science/libmbd 0.15.0
Many-body dispersion library
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
9fa637923f- License
- MPL20
- Categories
- science
- Package size
- 400.4 KiB, 665.5 KiB installed
Description
Libmbd implements the many-body dispersion (MBD) method in several programming languages and frameworks:
The Fortran implementation is the reference, most advanced implementation, with support for analytical gradients and distributed parallelism, and additional functionality beyond the MBD method itself. It provides a low-level and a high-level Fortran API, as well as a C API. Furthermore, Python bindings to the C API are provided.
Install
As a binary package — by origin, or by package name:
pkg install science/libmbd
pkg install libmbdFrom the ports tree:
cd /usr/ports/science/libmbd/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= libmbd>0:science/libmbd
LIB_DEPENDS= libmbd.so:science/libmbdPackages
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 | 0.15.0 | 0.15.0 | - | 0.12.5_4 | 0.15.0 |
| FreeBSD:14:quarterly | 0.15.0 | 0.15.0 | n/a | 0.12.5_4 | 0.15.0 |
| FreeBSD:15:latest | 0.15.0 | 0.15.0 | n/a | 0.12.5_4 | 0.12.5_4 |
| FreeBSD:15:quarterly | 0.15.0 | 0.15.0 | n/a | n/a | n/a |
| FreeBSD:16:latest | 0.15.0 | 0.15.0 | 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.
Library 1
libopenblas.so: math/openblas
The full lists below include those, and their dependencies in turn.
All build dependencies 18
All run dependencies 9
Required by 3
Configuration
No options to configure.
- USES
- cmake:testing fortran
- Service scripts
- none
Files
pkg-plist 28
- include/mbd/mbd.h
- include/mbd/mbd.mod
- include/mbd/mbd_c_api.mod
- include/mbd/mbd_constants.mod
- include/mbd/mbd_coulomb.mod
- include/mbd/mbd_damping.mod
- include/mbd/mbd_defaults.mod
- include/mbd/mbd_density.mod
- include/mbd/mbd_dipole.mod
- include/mbd/mbd_formulas.mod
- include/mbd/mbd_geom.mod
- include/mbd/mbd_gradients.mod
- include/mbd/mbd_hamiltonian.mod
- include/mbd/mbd_lapack.mod
- include/mbd/mbd_linalg.mod
- include/mbd/mbd_matrix.mod
- include/mbd/mbd_methods.mod
- include/mbd/mbd_rpa.mod
- include/mbd/mbd_scs.mod
- include/mbd/mbd_ts.mod
- include/mbd/mbd_utils.mod
- include/mbd/mbd_vdw_param.mod
- include/mbd/mbd_version.mod
- lib/cmake/mbd/MbdConfig-.cmake
- lib/cmake/mbd/MbdConfig.cmake
- lib/libmbd.so
- lib/libmbd.so.0
- lib/libmbd.so.0.15.0
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| libmbd-0.15.0.tar.gz | 69091 | f309447547f5203c179a9c8344dbf55fd4781852d9e7f248b1c6b5da69e533c8 |
Master sites 1
- https://github.com/libmbd/libmbd/releases/download/0.15.0/