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Port details
dft_tools Interface to DFT codes in TRIQS
1.5_3 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 17 Jun 2018 02:45:41
License: GPLv3
TRIQS-based-based application is aimed at ab-initio calculations for correlated
materials, combining realistic DFT band-structure calculations with the
dynamical mean-field theory. Together with the necessary tools to perform the
DMFT self-consistency loop for realistic multi-band problems, the package
provides a full-fledged charge self-consistent interface to the Wien2K package.
In addition, if Wien2k is not available, it provides a generic interface for
one-shot DFT+DMFT calculations, where only the single-particle Hamiltonian in
orbital space has to be provided.

WWW: https://triqs.github.io/dft_tools/master
SVNWeb : Homepage : PortsMon
    Pseudo-pkg-plist information, but much better, from make generate-plist
    Expand this list (37 items)
  1. /usr/local/share/licenses/dft_tools-1.5_3/catalog.mk
  2. /usr/local/share/licenses/dft_tools-1.5_3/LICENSE
  3. /usr/local/share/licenses/dft_tools-1.5_3/GPLv3
  4. bin/dmftproj
  5. bin/plovasp
  6. bin/vasp_dmft
  7. lib/libatm_c.so
  8. lib/python2.7/site-packages/triqs_dft_tools/__init__.py
  9. lib/python2.7/site-packages/triqs_dft_tools/block_structure.py
  10. lib/python2.7/site-packages/triqs_dft_tools/clear_h5_output.py
  11. lib/python2.7/site-packages/triqs_dft_tools/converters/__init__.py
  12. lib/python2.7/site-packages/triqs_dft_tools/converters/converter_tools.py
  13. lib/python2.7/site-packages/triqs_dft_tools/converters/hk_converter.py
  14. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/__init__.py
  15. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/atm.so
  16. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/converter.py
  17. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/elstruct.py
  18. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/inpconf.py
  19. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/plotools.py
  20. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/proj_group.py
  21. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/proj_shell.py
  22. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/sc_dmft.py
  23. lib/python2.7/site-packages/triqs_dft_tools/converters/plovasp/vaspio.py
  24. lib/python2.7/site-packages/triqs_dft_tools/converters/vasp_converter.py
  25. lib/python2.7/site-packages/triqs_dft_tools/converters/wannier90_converter.py
  26. lib/python2.7/site-packages/triqs_dft_tools/converters/wien2k_converter.py
  27. lib/python2.7/site-packages/triqs_dft_tools/sumk_dft.py
  28. lib/python2.7/site-packages/triqs_dft_tools/sumk_dft_tools.py
  29. lib/python2.7/site-packages/triqs_dft_tools/symmetry.py
  30. lib/python2.7/site-packages/triqs_dft_tools/trans_basis.py
  31. lib/python2.7/site-packages/triqs_dft_tools/update_archive.py
  32. lib/python2.7/site-packages/triqs_dft_tools/version.py
  33. share/triqs/Wien2k_SRC_files/SRC_templates/case.cf_f_mm2
  34. share/triqs/Wien2k_SRC_files/SRC_templates/case.cf_p_cubic
  35. share/triqs/Wien2k_SRC_files/SRC_templates/case.indmftpr
  36. share/triqs/Wien2k_SRC_files/SRC_templates/run_triqs
  37. share/triqs/Wien2k_SRC_files/SRC_templates/runsp_triqs
  38. Collapse this list.

To install the port: cd /usr/ports/science/dft_tools/ && make install clean
To add the package: pkg install dft_tools

PKGNAME: dft_tools

distinfo:

TIMESTAMP = 1529199984
SHA256 (TRIQS-dft_tools-1.5_GH0.tar.gz) = ca10069c5b766092d289b07d0d36a19dfed7a7f5512fe62607334387422329ac
SIZE (TRIQS-dft_tools-1.5_GH0.tar.gz) = 2808644


NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Build dependencies:
  1. boost-libs>=1.53 : devel/boost-libs
  2. googletest>0 : devel/googletest
  3. clang60 : devel/llvm60
  4. cmake : devel/cmake
  5. gfortran7 : lang/gcc7
  6. python2.7 : lang/python27
  7. as : devel/binutils
Runtime dependencies:
  1. gfortran7 : lang/gcc7
  2. python2.7 : lang/python27
Library dependencies:
  1. libcpp2py.so : devel/cpp2py
  2. libfftw3.so : math/fftw3
  3. libgmpxx.so : math/gmp
  4. libhdf5.so : science/hdf5
  5. libmpi.so : net/openmpi
  6. libopenblas.so : math/openblas
  7. libsz.so : science/szip
  8. libtriqs.so : science/triqs
  9. libintl.so : devel/gettext-runtime
There are no ports dependent upon this port

Configuration Options
     No options to configure

USES:
cmake:outsource,noninja fortran gettext-runtime python:-2.7

Master Sites:
  1. https://codeload.github.com/TRIQS/dft_tools/tar.gz/1.5?dummy=/

Number of commits found: 4

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
05 Sep 2018 22:05:23
Original commit files touched by this commit  1.5_3
Revision:479046
sunpoet search for other commits by this committer
Update science/hdf5 to 1.10.2

- Bump PORTREVISION of dependent ports for shlib change

Changes:	https://portal.hdfgroup.org/display/support/HDF5%201.10.2#releasenotes
		https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.2/src/hdf5-1.10.2-RELEASE.txt
PR:		231009
Exp-run by:	antoine
09 Aug 2018 06:58:31
Original commit files touched by this commit  1.5_2
Revision:476723
jbeich search for other commits by this committer
devel/boost-*: update to 1.68.0

- Switch to C++14 for libboost_system to support C++14 consumers

Changes:	http://www.boost.org/users/history/version_1_68_0.html
PR:		229569
Exp-run by:	antoine
Differential Revision:	https://reviews.freebsd.org/D16165
29 Jul 2018 22:18:46
Original commit files touched by this commit  1.5_1
Revision:475857
gerald search for other commits by this committer
Bump PORTREVISION for ports depending on the canonical version of GCC
in the ports tree (via Mk/bsd.default-versions.mk and lang/gcc) which
has now moved from GCC 6 to GCC 7 by default.

This includes ports
 - featuring USE_GCC=yes or USE_GCC=any,
 - featuring USES=fortran,
 - using Mk/bsd.octave.mk which in turn features USES=fortran, and those
 - with USES=compiler specifying one of openmp, nestedfct, c11, c++0x,
   c++11-lib, c++11-lang, c++14-lang, c++17-lang, or gcc-c++11-lib.

PR:		222542
17 Jun 2018 02:42:52
Original commit files touched by this commit  1.5
Revision:472591
yuri search for other commits by this committer
New port: science/dft_tools: Interface to DFT codes in TRIQS

Number of commits found: 4

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