science/py-pymbd 0.15.0
Many-body dispersion library
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
50db78096f- License
- MPL20
- Categories
- science
- Package size
- 62.4 KiB, 271.3 KiB installed
Description
Pymbd is Python bindings for Libmbd.
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/py-pymbd
pkg install py312-pymbdFrom the ports tree:
cd /usr/ports/science/py-pymbd/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= py312-pymbd>0:science/py-pymbdPackages
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_2 | 0.15.0 |
| FreeBSD:14:quarterly | 0.15.0 | 0.15.0 | n/a | 0.12.5_2 | 0.15.0 |
| FreeBSD:15:latest | 0.15.0 | 0.15.0 | n/a | 0.12.5_2 | 0.12.5_2 |
| 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.
Build 3
${PYTHON_PKGNAMEPREFIX}cffi>=1: devel/py-cffi${PYTHON_PKGNAMEPREFIX}poetry-core>0: devel/py-poetry-core${PYTHON_PKGNAMEPREFIX}poetry-dynamic-versioning>0: devel/py-poetry-dynamic-versioning
Library 1
libmbd.so: science/libmbd
Runtime 3
${PYTHON_PKGNAMEPREFIX}cffi>=1: devel/py-cffi${PYTHON_PKGNAMEPREFIX}numpy>=1.20,1: math/py-numpy${PYTHON_PKGNAMEPREFIX}scipy>=1.6: science/py-scipy
The full lists below include those, and their dependencies in turn.
All build dependencies 31
- archivers/liblz4
- archivers/zstd
- devel/binutils
- devel/gettext-runtime
- devel/libffi
- devel/py-Jinja2
- devel/py-babel
- devel/py-build
- devel/py-cffi
- devel/py-dunamai
- devel/py-installer
- devel/py-packaging
- devel/py-poetry-core
- devel/py-poetry-dynamic-versioning
- devel/py-pycparser
- devel/py-pyproject-hooks
- devel/py-setuptools
- devel/readline
- lang/gcc14
- lang/python312
- lang/python315
- math/gmp
- math/mpc
- math/mpdecimal
- math/mpfr
- math/openblas
- print/indexinfo
- science/libmbd
- textproc/expat2
- textproc/py-markupsafe
- textproc/py-tomlkit
All run dependencies 21
No port depends on this one.
Configuration
No options to configure.
- USES
- localbase python shebangfix
- Service scripts
- none
Files
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| pymbd-0.15.0.tar.gz | 34460 | 94715e7d190eecc0b32f66fab70641201a8dfd58d51b3378d91c0d41ee259007 |
Master sites 1
- https://github.com/libmbd/libmbd/releases/download/0.15.0/