Port details |
- abinit Full-featured atomic-scale first-principles simulation software
- 10.0.5 science =0 9.10.5Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2004-08-14 01:47:33
- Last Update: 2024-05-02 08:57:59
- Commit Hash: c697e4b
- 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 = 1714624590
SHA256 (abinit-abinit-10.0.5_GH0.tar.gz) = 27b51b5c9c21192b6d8321f30c9c8699ec852811589cdfcc94199a5fdd505527
SIZE (abinit-abinit-10.0.5_GH0.tar.gz) = 132497323
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
- gfortran13 : lang/gcc13
- gmake>=4.4.1 : devel/gmake
- python3.9 : lang/python39
- as : devel/binutils
- autoconf>=2.72 : devel/autoconf
- automake>=1.16.5 : devel/automake
- Test dependencies:
-
- bash : shells/bash
- 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
- gfortran13 : lang/gcc13
- 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-10.0.5:
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:
|
Number of commits found: 109 (showing only 9 on this page)
Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
Commit | Credits | Log message |
5.2.4 25 Feb 2007 08:04:28 |
maho |
Better support of CPU optimization. This should also fixes
the builds for amd64/ia64, sparc64 and some i[3-6]86 platforms.
However, flags may not be a very optimized ones. |
5.2.4 25 Feb 2007 06:52:47 |
maho |
A possible fix for fenner's distfile survey.
Submitted by: fenner |
5.2.4 29 Jan 2007 02:32:18 |
maho |
Fix pkg-plist.
Submitted by: pav. |
5.2.4 17 Jan 2007 04:24:49 |
maho |
* Update to 5.2.4
* make fetchable (fenner)
* Migrate to gfortran.
* Use gfortran compiled atlas/blas/lapack. |
4.6.5 13 May 2006 04:15:53 |
edwin |
Remove USE_REINPLACE from all categories starting with S |
4.6.5 22 Jan 2006 03:41:32 |
maho |
Update to 4.6.5
Notified by: fenner, kris, and edwin |
4.4.5 30 Oct 2005 09:24:40 |
maho |
update to 4.4.5, and make fetchable
Submitted by: kris, linimon, fenner |
4.4.4 10 Oct 2005 05:54:08 |
maho |
Update to 4.4.4 (preferred production version, robust)
Submitted by: edwin |
4.3.3 14 Aug 2004 08:45:42 |
maho |
Add abinit, calculates total energy, charge density
and electronic structure of systems. |
Number of commits found: 109 (showing only 9 on this page)
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