Port details on branch 2022Q3 |
- abinit Full-featured atomic-scale first-principles simulation software
- 9.10.5 science =0 9.10.3_2Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2004-08-14 01:47:33
- Last Update: 2024-02-22 09:38:39
- Commit Hash: 0e6ed17
- License: GPLv3
- WWW:
- https://www.abinit.org
- Description:
- ABINIT is a package whose main program allows one to find the total energy,
charge density and electronic structure of systems made of electrons and nuclei
(molecules and periodic solids) within Density Functional Theory (DFT), using
pseudopotentials and a planewave or wavelet basis. ABINIT also includes options
to optimize the geometry according to the DFT forces and stresses, or to perform
molecular dynamics simulations using these forces, or to generate dynamical
matrices, Born effective charges, and dielectric tensors, based on
Density-Functional Perturbation Theory, and many more properties. Excited states
can be computed within the Many-Body Perturbation Theory (the GW approximation
and the Bethe-Salpeter equation), and Time-Dependent Density Functional Theory
(for molecules). In addition to the main ABINIT code, different utility programs
are provided.
- ¦ ¦ ¦ ¦
- 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/abinit/ && make install clean
- To add the package, run one of these commands:
- pkg install science/abinit
- pkg install abinit
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: abinit
- Flavors: there is no flavor information for this port.
- ONLY_FOR_ARCHS: amd64 powerpc64 powerpc64le
- distinfo:
- TIMESTAMP = 1708573562
SHA256 (abinit-abinit-9.10.5_GH0.tar.gz) = 2e37dd2400cfd1b01d0bd925650d50e8c59e587a8d799a74188deded4d53493b
SIZE (abinit-abinit-9.10.5_GH0.tar.gz) = 130746379
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:
-
- gm4 : devel/m4
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-pygments>=0 : textproc/py-pygments@py39
- py39-pandas>0 : math/py-pandas@py39
- py39-graphviz>0 : graphics/py-graphviz@py39
- gfortran12 : lang/gcc12
- gmake>=4.3 : devel/gmake
- python3.9 : lang/python39
- as : devel/binutils
- autoconf>=2.71 : devel/autoconf
- automake>=1.16.5 : devel/automake
- Test dependencies:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- libyaml>0 : textproc/libyaml
- python3.9 : lang/python39
- Runtime dependencies:
-
- atompaw : science/atompaw
- gfortran12 : lang/gcc12
- python3.9 : lang/python39
- Library dependencies:
-
- libelpa.so : math/elpa
- libsz.so : science/libaec
- libxc.so : science/libxc
- libfftw3.so : math/fftw3
- libhdf5.so : science/hdf5
- libxml2.so : textproc/libxml2
- libnetcdf.so : science/netcdf
- libxmlf90.so : textproc/xmlf90
- libwannier.so : science/wannier90
- libnetcdff.so : science/netcdf-fortran
- libblas.so : math/blas
- liblapack.so : math/lapack
- libxml2.so : textproc/libxml2
- libmpi_mpifh.so : net/openmpi
- This port is required by:
- for Build
-
- science/v_sim
- for Run
-
- science/ocean
- science/v_sim
Configuration Options:
- ===> The following configuration options are available for abinit-9.10.5:
DOCS=on: Build and/or install documentation
OPENMP=on: Parallel processing support via OpenMP
OPENMPI=on: Parallel processing support via Open MPI
===> Use 'make config' to modify these settings
- Options name:
- science_abinit
- USES:
- autoreconf:build blaslapack:netlib fortran gmake gnome localbase:ldflags python shebangfix mpi:openmpi pkgconfig
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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