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Commit Graph

73 Commits

Author SHA1 Message Date
Olivier Parcollet
f1c32012a6 magic : redirect std::cout to python sys.out.write
- for all functions, except when GIL option (not implemented) is here
  we use a triqs::py_stream, which redirect the stream
  to python sys.write
- so that a simple C++ code with a std::cout
  print its output in the notebook...
- NB : it only works for the code within the cell.
  If it calls another function on the lib which uses cout,
  print is not redirected.
  Designed for simple tests....
- cerr not (yet) redirected. (useful ?).
2014-06-11 16:25:47 +02:00
Michel Ferrero
31d8120b64 Add missing file in installation of gf 2014-06-05 14:07:44 +02:00
Michel Ferrero
3eb9b16a57 Add number operator in operator class 2014-06-05 14:07:15 +02:00
Michel Ferrero
6295d563ae Add absolute c_type in many_body_operator desc 2014-06-03 15:09:07 +02:00
Michel Ferrero
8c75aa6373 Small fix in wrap_generator 2014-06-03 15:08:24 +02:00
Olivier Parcollet
d29be978e9 magic : correct for linux
- compiler path, etc...
2014-06-02 11:04:17 +02:00
Olivier Parcollet
28a12c7b2f ipython triqs magic v1
- first version of triqs magic for the notebook
- add add_preamble to the wrap_generator.
2014-06-01 21:00:07 +02:00
Olivier Parcollet
3fe400d34c doc : split c++ code from rst
- examples split from the rst file using a python script (split_code).
- Final result for the doc is unchanged.
- examples are compiled and tested with the other tests.
- examples' code have been clang-formatted, with triqs style.
- doc compiles much faster, and with the same options as the rest of the
  test.
- examples are added as tests, so they are run by make test, as simple C
  tests.
- done for the tutorials and the reference.
- autocompile removed (changed into triqs_example directive).
- add triqs_example :
   - make a literal include of the source code.
   - runs the compiled example
   - add, as before, the result to the source code in the doc.
- added the script split_code, used to make the changes automatically,
  maybe for later reuse. (in _tools)
2014-05-31 23:00:16 +02:00
Olivier Parcollet
4f51c1e043 Correction.
- forgot the doc file.
- minor correction for wrapping application
2014-05-31 18:51:50 +02:00
Olivier Parcollet
4e9460bc1c Wrapper : clean and document.
- clean the c_name.
- add more refined signature (with c_name optionally in it).
- add some autodoc.
- clean code : move class in nested, remove useless dict call, etc...
- operator2 : move unary - and unit in algebra in general wrapper.
- various name change to make private function start with _, for
  autodoc.
2014-05-31 16:10:07 +02:00
Olivier Parcollet
2abf36a2ff move wrap_test to test/pytriqs 2014-05-30 23:08:32 +02:00
Olivier Parcollet
446f817111 wrapper: add release_GIL_and_enable_signal option.
- Add to the wrapper generator (add_method) the release_GIL_and_enable_signal option which :

   - release the GIL
   - save the python signal handler
   - enable the C++ triqs signal handler instead.
   - undo all of this after the code runs, or in a case of exception.
   - used python include, ceval.h, line 72 comments and below.

- reworked the triqs::signal_handler.
  simple C like function, no object (no need).
  start, stop, received, cf header file.

- clean the call_back.cpp : only place using the signal directly
  (qmc uses the callback).
  in particular, remove the old BOOST CHRONO, since
  the std::chrono works fine on platforms we use now.
2014-05-30 21:09:18 +02:00
Olivier Parcollet
243d4a798b wrapper: add use_module
- a module can use the converters used by another
  with the use_module('A') command.
  In which case :
    - the generate converter header for A will be included.
    - the header, at the top, now contains a simple list of all
      wrapped types, which is then included in the wrapped_types
      of the module for proper code generation.
- simplify the code generation : just generate_code.
- all arguments are analyzed from sys.argv at the import of the
  wrap_generator module. In any case, the xx_desc.py will be called from the corresponding
  cmake command, hence with the right arguments.
- Added a dependencies in my_module_B of wrap_test to show how to make
  the dependencies in the cmake file, if needed.
2014-05-30 19:34:13 +02:00
Olivier Parcollet
31927c9132 wrapper : remove the need of default constructor
- change the constructor wrapper.
- in the new method, leave the pointer _c to NULL.
- in the init, allocate it.
- It seems ok to leave the object in this non initialized state,
  but that is not so clear from the doc.
  Added check for this pointer == NULL in converters.
2014-05-30 19:34:13 +02:00
Olivier Parcollet
2d071bb74b Remove Cython & prepare wrapper for applis.
- removed cython : macro, detection, pxd, etc...
- adapt wrapper tools for external applis.
- cleaned doc for cython
2014-05-30 19:34:13 +02:00
Olivier Parcollet
a920697e78 fixes in wrap_generator, parameters, h5 for strings
- string size in h5. Add +1 (or empty string is wrong).
- parameters : modified flags from python
- minor corrections in wrapper
2014-05-30 14:16:15 +02:00
Olivier Parcollet
3036fe6529 wrapper : correct namespace in enum in converters
- the absolute path was missing for the value of the enum.
2014-05-30 14:16:15 +02:00
Olivier Parcollet
ad45adbadd wrapper: add static methods
- is_static= True to wrap a static method.
2014-05-30 13:03:51 +02:00
Olivier Parcollet
e6529b608e Change implementation of random_generator & python wrapper.
- Use a new buffered_function to replace the complicated generator code from ALPS.
- Clean the implementation of the random_generator
- update the documentation
- update to the new python wrapper (could not be done with the previous
  version, because of lack of move constructor).
2014-05-29 22:25:22 +02:00
Olivier Parcollet
2b5dd322ce lattice : python wrapper 2014-05-29 22:25:22 +02:00
Olivier Parcollet
22f9576834 Finish gf wrapping
- clean old.
- clean gf_desc.py
2014-05-29 21:39:36 +02:00
Michel Ferrero
3be8e65ae7 Fix operator generator to have converter header 2014-05-24 01:00:16 +02:00
Michel Ferrero
76aa6120e9 Add new python operators
For now they are called operators2.
2014-05-22 23:58:07 +02:00
Michel Ferrero
df09891219 Add unary operators in python wrapper
This is useful to add unary operators to the number_protocol.
2014-05-22 23:58:07 +02:00
Olivier Parcollet
6934692327 add converter for scalar_valued gf
- converted as 1x1 matrix view.
- add a small test
2014-05-22 23:42:51 +02:00
Olivier Parcollet
16057c7a4e forgot one file 2014-05-22 21:08:08 +02:00
Olivier Parcollet
f2136f7b80 gf. wrap legendre. 2014-05-22 17:56:42 +02:00
Olivier Parcollet
cfe3532c94 array & gf transpose
- implement transposed_view for arrays.
- .transpose method for gf
- wrapped to python
- add call op. for GfImTime, using C++
- Added ChangeLog
- rm matrix_stack
- start cleaning old code
2014-05-22 16:08:23 +02:00
Olivier Parcollet
5c8270c437 gf_block converter 2014-05-21 23:01:52 +02:00
Olivier Parcollet
27af80c04e Serialization boost/h5 and clean parameters
- parameters : clean, add back serialization. Clean whitespace

- serialization : depending on the version of the hdf5 lib,
  uses h5 or boost.

- TODO : test it on a machine with new hdf5.
2014-05-21 14:35:26 +02:00
Olivier Parcollet
8c0bf592d0 Fix compilation of py_converter.
- py_converters in hpp files
- add guard to prevent inclusion in the wrapper (to avoid 2
  specialisation of the same py_converter).
2014-05-20 22:24:30 +02:00
Olivier Parcollet
dd91c51647 wrapper.
Correction converter specialization
(avoid redeclaration).
2014-05-19 22:18:17 +02:00
Olivier Parcollet
914901864a wrapper. Correction
- clean the call to py_converter.
- add a & in the generic function py2c (to be specialized later).
2014-05-19 21:58:33 +02:00
Olivier Parcollet
af084f5d59 parameters & wrapper
- new parameter class :
  parameters are viewed as form, built in C++, and filled in C++/python.
  Each field of the form as a precise C++ type (erased using standard techniques).
  First tests ok, to be reread/checked.

  TODO : serialization is commented. Lead to long compilation time & large code
  due to boost::serialization. Use h5 when possible.

- wrapper :
  - separated the converters of the wrapped type in the TRIQS library
  - necessary for parameters (it used outside an .so) and potentially
    other codes, outside an .so module
2014-05-19 15:19:18 +02:00
Olivier Parcollet
a9bcc33c7e minor correction for linux
- vector on C++14 has explicit default (until C++14 apparently)
  it is a small difference between libc++ and gnu libstdC++
2014-05-11 21:57:18 +02:00
Olivier Parcollet
3a31077d51 gf : new wrapper 2014-05-11 21:47:52 +02:00
Olivier Parcollet
5105e04ac7 Add new wrapper generator
- with pytriqs.wrap_test as an example.
2014-05-11 21:47:46 +02:00
tayral
3aa380ba9d Fixed abs bug in bravais_lattice + added method
When constructing the last unit vector in 2D, the sanity check was wrong because of usage of abs instead of std::abs.

Added method energy_on_bz_path_2 that returns the energy *matrix* at each k point on a given path instead of the eigenvalues of this matrix. The name of the function should be changed (to energy_matrix_on_bz_path?)

Renaming energies_on_bz_path_2 to energy_matrix_on_bz_path
2014-05-08 12:09:58 +01:00
tayral
91dc34a869 Added accessor positive only to MeshImFreq 2014-05-08 12:04:54 +01:00
Olivier Parcollet
22ef7ac015 gf. add __call__(double) to gf_imtime, wrapped from C++ evaluator 2014-04-02 11:15:24 +02:00
Olivier Parcollet
6e87bee850 lattice: clean old classes, add bz_mesh, gf on bz 2014-02-18 15:53:38 +01:00
Olivier Parcollet
dd6b996e5d arrays: to_python now raise exception when array is empty
- otherwise it was simply crashing .
- now raise a C++ exception
- adapted cython wrapper to catch it as a python exception
2014-02-04 15:04:40 +01:00
Olivier Parcollet
758c07c87c Correction of last correction....
The construction from c++ should *not* be changed...
2014-01-21 14:29:44 +01:00
Olivier Parcollet
1adf10429f Fix #52 : Correct 6022015
- forgot to correct the call to self.kind (now returning a char, not an
  int), in previous commit.
2014-01-21 13:30:23 +01:00
Olivier Parcollet
602201527d Fix #51
- The kind() method of mesh should return a char,
like the parameter of the constructor of mesh,
not the C++ corresponding int.
- otherwise, the reduction - construction is broken
and by extension all pickling and then all mpi constructions.
2014-01-17 21:12:24 +01:00
Olivier Parcollet
b644b38a6a gf: imfreq. general case, fix python interface
- Fix constructor, now taking n_points like the positive_only case
- Fix python, h5read, for general case (i.e. all frequencies).
2014-01-07 14:30:40 +01:00
Michel Ferrero
f7fad85fca Iteration over the doc
This is an iteration over the doc mainly thank to Priyanka.
I fixed another couple of details on the way.
2013-12-31 14:22:00 +01:00
Olivier Parcollet
5b8113b46a pytriqs: add option to use mpi4py instead of boost.python.mpi
- to choose mpi4py over boost.python.mpi, pass -DPython_use_mpi4py=ON

- boost.mpi stays the default for python, but
  adding the possibility of using mpi4py instead.

- Due to numerous pbs on recent OS X + brew installation.
  boost.mpi does not work (crash in openmpi ??), mpi4py does

- the pytriqs/utility/mpi.py is now configured by the cmake (like
  version.py) to prepare one of the two possibilities.

- TODO:  not tested carefully : to be done in other machines.
2013-12-30 22:32:09 +01:00
Michel Ferrero
15f0899016 Fix missing cached key in archives
When an object with __hdf_write__ was written in an archive, the
corresponding key was not cached. Therefore, one could not access
the object which had just been written.
2013-12-23 13:15:27 +01:00
Michel Ferrero
b7d7c656ce Fix a missing mask in tail fit (imfreq)
I applied the patch provided by Thomas.

  modified:   pytriqs/gf/local/gf_imfreq.py
2013-12-19 11:54:44 +01:00