| Port details |
- abinit Full-featured atomic-scale first-principles simulation software
- 10.2.7 science
 =2      10.2.7Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2004-08-14 01:47:33
- Last Update: 2025-02-19 09:19:12
- Commit Hash: f8a425e
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
- License: GPLv3
- WWW:
- https://www.abinit.org
- https://github.com/abinit/abinit
- 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.
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- 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 = 1739946724
SHA256 (abinit-abinit-10.2.7_GH0.tar.gz) = 0cd5c5755d151ef6a95b107cdcf0ec496818e34356ae8d26b2b4842bf641aec4
SIZE (abinit-abinit-10.2.7_GH0.tar.gz) = 141254516
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
- py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
- py311-pygments>=0 : textproc/py-pygments@py311
- py311-pandas>0 : math/py-pandas@py311
- py311-graphviz>0 : graphics/py-graphviz@py311
- gfortran13 : lang/gcc13
- gmake>=4.4.1 : devel/gmake
- python3.11 : lang/python311
- as : devel/binutils
- autoconf>=2.72 : devel/autoconf
- automake>=1.17 : devel/automake
- Test dependencies:
-
- bash : shells/bash
- py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
- libyaml>0 : textproc/libyaml
- python3.11 : lang/python311
- Runtime dependencies:
-
- atompaw : science/atompaw
- gfortran13 : lang/gcc13
- python3.11 : lang/python311
- Library dependencies:
-
- libelpa.so : math/elpa
- libsz.so : science/libaec
- libxc.so : science/libxc
- libfftw3.so : math/fftw3
- libhdf5.so : science/hdf5
- 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
- libmpich.so : net/mpich
- 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-10.2.7:
DOCS=on: Build and/or install documentation
OPENMP=off: Parallel processing support via OpenMP
====> Options available for the radio MPIX: you can only select none or one of them
NOMPI=off: Do not use MPI
MPICH=on: Parallel processing support via MPICH
OPENMPI=off: 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:mpich pkgconfig
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
5.6.5
23 Mar 2009 18:27:37
  |
thierry |
- Upgrade to 5.6.5;
- Install libabinit;
- Handle NOPORTDOCS and NOPORTEXAMPLES;
- s/test/regression-test/;
- Don't install under a versionned $PREFIX.
Approved by: maho (maintainer) |
5.2.4_3
11 Jan 2009 23:16:12
|
maho |
Remove CONFIGURE_ENV
Submitted by: gerald@ |
5.2.4_3
07 Jan 2009 16:34:27
|
gerald |
Bump PORTREVISION due to change of USE_FORTRAN=yes to GCC 4.3. |
5.2.4_2
21 Aug 2008 06:18:49
|
rafan |
Update CONFIGURE_ARGS for how we pass CONFIGURE_TARGET to configure script.
Specifically, newer autoconf (> 2.13) has different semantic of the
configure target. In short, one should use --build=CONFIGURE_TARGET
instead of CONFIGURE_TARGET directly. Otherwise, you will get a warning
and the old semantic may be removed in later autoconf releases.
To workaround this issue, many ports hack the CONFIGURE_TARGET variable
so that it contains the ``--build='' prefix.
To solve this issue, under the fact that some ports still have
configure script generated by the old autoconf, we use runtime detection
in the do-configure target so that the proper argument can be used.
Changes to Mk/*:
- Add runtime detection magic in bsd.port.mk (Only the first 15 lines of the commit message are shown above  ) |
5.2.4_1
20 Aug 2008 00:57:32
|
ade |
Conversion from (now defunct) autoconf-2.61 to autoconf-2.62
Tested by: exp build run (erwin) |
5.2.4_1
30 Sep 2007 04:47:37
|
linimon |
Switch autoconf dependencies from 2.53 or 2.59 to 2.61.
PR: ports/116639
Submitted by: aDe |
5.2.4
14 Jul 2007 10:14:28
|
maho |
Now we use USE_FORTRAN=yes to use FORTRAN compiler. |
5.2.4
16 Mar 2007 03:04:18
|
maho |
Temporary place distfile at maho/public_distdir.
Submitted by: kris |
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. |
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