c17297ca1d
fix generator for single floats
2021-12-09 09:48:55 +01:00
fcf84ebb8c
Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
2021-12-09 09:28:27 +01:00
d001844c2f
[WIP] working write_ for chunked extensible (sparse) datasets
2021-12-08 17:26:55 +01:00
61ea409c58
Modified density matrices
2021-12-08 12:28:37 +01:00
bf5c651220
refactor to set common dtype substitutions in a function
2021-12-07 10:14:27 +01:00
e340c6541d
adapt the generator to work for an arbitrary number of indices in sparse dset
2021-12-03 16:56:45 +01:00
ed3bde973e
[WIP] more general templated variables for sparse data
...
+ renamed templated variables with std_dtype_in|out suffix into _format_scanf|printf for clarity
2021-12-03 15:42:40 +01:00
83c926fd6b
replace offset_data arg with pointer arithmetics
2021-12-01 09:56:31 +01:00
d3ba8f3652
[WIP] working generator for sparse functions
...
+ remove trailing whitespaces
2021-11-30 16:30:36 +01:00
d44883f0ea
add search bar
...
close #40
2021-11-19 12:50:12 +01:00
ae753108ff
move FindTREXIO and cmake_uninstall modules in cmake directory
2021-11-17 11:02:35 +01:00
6feef1cd5f
add custom uninstall target to CMake
2021-11-16 18:10:36 +01:00
f389ba2952
[WIP] better FindTREXIO module (following FindSDL2 example)
2021-11-16 11:37:11 +01:00
7fa07bf7e7
[WIP] working Guix project config file
...
TODO: implement possibility to build from the GitHub repo OR without hdf5
2021-11-12 17:00:04 +01:00
320697ee8d
[WIP] FindTREXIO.cmake file
2021-11-09 16:52:43 +01:00
4b225f142e
explicitly define HAVE_HDF5 in trexio.h for Python builds
2021-11-01 11:58:04 +01:00
9f2b4b9075
Remove warning when tangling
2021-10-06 10:31:06 +02:00
72c8d01f34
adapt consistency check of array dimensions for dim type
2021-09-22 11:23:17 +02:00
0167a53d50
add dim type for dimensioning variables in the trex.json
2021-09-22 10:56:25 +02:00
11a17c65d3
add attr_ prefix to the template file name for numerical attributes
2021-09-21 10:41:37 +02:00
c22e9d2925
put back sanity check that dimensioning variables are positive
2021-09-20 17:00:05 +02:00
2497a80f90
adapt triggers in the generator_tools
2021-09-20 15:51:57 +02:00
261e7c8b84
modify front end for more general numerical attributes
2021-09-20 13:16:44 +02:00
b1f1aee7ab
Merge branch 'master' into swig-python
2021-09-10 14:04:15 +02:00
04529823f6
add README file for the Python API
2021-09-08 19:34:16 +02:00
fdc9a975b9
add empty line between function headers
2021-08-30 12:52:36 +03:00
4c28a4cac8
add type converters for numerical arrays in read/write Python functions
2021-08-26 13:14:46 +03:00
d4badd0cf4
Fix build issues on OLYMPE
2021-08-25 16:49:27 +03:00
c7565e9dec
minor changes
2021-08-24 11:51:29 +03:00
831973fc8e
better python compilation
2021-08-18 16:28:43 +03:00
902147b45b
better structure of the python directory
2021-08-18 15:40:42 +03:00
9cc552409f
rename the front-end Python module
2021-08-18 13:30:03 +03:00
66a790717a
Optional check and update of numpy.i file if outdated
2021-08-10 15:43:24 +03:00
d0c19e0ce0
pytrexio build and pip install working
2021-08-05 17:55:34 +03:00
c381d5de4b
Fixed compilation on macOS
2021-07-27 14:48:11 +02:00
ec0db01f0c
Documentation in dist
2021-06-18 12:04:03 +02:00
8608e5d541
enable metadata I/O
2021-06-15 18:40:48 +02:00
ac45a937af
Merge branch 'master' into add-strings
2021-06-15 11:49:42 +02:00
b92a15cce7
add top-level read/write functions for string arrays [fortran]
2021-06-15 10:20:01 +02:00
a39784dc51
adapt the generator to populate string attributes
2021-06-11 18:16:42 +02:00
b67d1c2cb2
adapt the generator for arrays of strings [text]
2021-06-11 14:45:42 +02:00
bec752361c
Index OK
2021-06-10 01:49:43 +02:00
5abac3fec2
[WIP] working write dset of strings, but with memory leak [text]
2021-06-09 18:10:59 +02:00
3082dbbaf3
[WIP] adapt generator for string attributes [front,hdf5]
2021-06-04 15:36:18 +02:00
1647e76fcf
[WIP] adapt generator for string datasets
2021-05-31 16:39:21 +02:00
7ddb9228f1
split dataset files in _str and _data groups
2021-05-27 15:03:13 +02:00
70531b0ff6
more general group_dset_h5_dtype variable in the templates [hdf5]
2021-05-27 13:59:45 +02:00
Evgeny Posenitskiy
29d927675e
Major refactoring of the generator script ( #47 )
...
* minor cleaning
* create functions for dictionary parsers in the external file
* remove files_exclude since post-processing does the job
* no need to have group_group_dset when propagatin dsets
* oneliner for paths to templates
* add dset_per_group dict
* add function to iteratively populate string based on triggers list
* added recursive replacer for numbers
* add recursive replaces for datasets
* add function for text groups [iterative+recursive upd]
* do not define triggers in the master script
* transition to helper dictionaries
* cleaning
* comment main code blocks
* rearrange parameters
* add documentation strings to the functions
* minor cleaning and changes
* adapt build_trexio script
* add consisteny check for dimensioning variables
2021-05-26 19:11:46 +02:00
9ec75c2892
Added trex.org to generate json
2021-05-21 12:10:29 +02:00
6ffc4ccfb2
Fixed Fortran interface
2021-05-19 16:17:24 +02:00
