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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-08-25 06:31:43 +02:00
Commit Graph

54 Commits

Author SHA1 Message Date
5756b5df33 upgrade major versions due to changes in basis and ECP formats
needed to indicate that the backward copatibility will be broken
2021-10-19 10:24:44 +02:00
aadaf2db8d better README 2021-10-07 14:06:56 +02:00
q-posev
01e4476c19 minor update for better Python builds 2021-10-01 10:48:13 +02:00
6262fd6e9f pin numpy versions to avoid RuntimeError when importing trexio 2021-09-30 17:23:43 +02:00
Evgeny Posenitskiy
1ba0876d81
Merge pull request #60 from TREX-CoE/exit-code-for-open
Return error code from trexio_open
2021-09-24 12:45:37 +02:00
b5d513ae36 update the latest commit of trexio-tutorials submodule 2021-09-24 10:05:07 +02:00
67b00efa9c handle return error of trexio_open in the Python API 2021-09-22 16:40:55 +02:00
264faf9c74 adapt MANIFEST.in to the structure of examples directory 2021-09-14 10:51:36 +02:00
e9c376c83b add trexio-tutorials repo as git submodule 2021-09-14 10:08:25 +02:00
8917cb747b better README 2021-09-14 09:48:55 +02:00
71f4006987 better README + Binder badge 2021-09-13 17:21:34 +02:00
1589995775 do not use warnings for an attempt to overwrite in the Python API 2021-09-13 11:46:31 +02:00
2bd4ef9bfd add has_ functions to the Python API 2021-09-13 11:29:00 +02:00
77e3f1ac11 print UserWarning instead of raising Error for an attempt to overwrite data
following suggestion of Vijay G.C.
2021-09-12 14:24:50 +02:00
97f1d3b723 better documentation 2021-09-12 12:27:08 +02:00
ab3f56c023 remove jupyter from requirements.txt 2021-09-10 14:02:10 +02:00
q-posev
39c7587b5e more portable setup of environment variables for install_pytrexio.sh 2021-09-10 13:36:51 +02:00
dcfe1da870 better documentation 2021-09-09 17:29:17 +02:00
569fac5578 move set_NUMPY_INCLUDEDIR into tools directory 2021-09-09 17:28:37 +02:00
b9c3ddb30e FIX: bug related to import numpy in setup.py script
use the custom NUMPY_INCLUDEDIR environment variable derived from a call to numpy.get_include
2021-09-09 15:09:26 +02:00
58b611e21b add setuptools and jupyter to requirements.txt 2021-09-09 15:08:01 +02:00
09937c58c5 better README 2021-09-09 15:06:26 +02:00
a8d14f4c79 better README for python 2021-09-08 19:53:45 +02:00
04529823f6 add README file for the Python API 2021-09-08 19:34:16 +02:00
04a713590a FIX bug due to the direct import of numpy in the setup script
+ add more classifiers
2021-09-08 19:26:30 +02:00
f24a274c4d add requirements file with packages needed for a proper setup 2021-09-07 17:32:23 +02:00
e72fbb4645 minor fixed in setup script to be compatible with Docker containers
+ replaced dependency on h5py with numpy
2021-09-07 17:31:25 +02:00
96678fea2e adapt write functions to receive multidimensional arrays or lists 2021-09-07 17:14:23 +02:00
ced8210ff0 BUG: trexio_open fails when test script is executed from outside the root test directory 2021-08-30 18:23:24 +03:00
ad44e29e95 fix bug with Python version import 2021-08-30 15:08:26 +03:00
cf51d3971f read module version from _version.py file 2021-08-30 13:46:11 +03:00
b8aff45d3b add notes on Python build and installation issues 2021-08-27 16:14:33 +03:00
5a2b4d96a7 reshape output arrays by default when reading from the file 2021-08-27 16:08:39 +03:00
7b5ebf6272 implement TREXIO File class and change import of pytrexio module 2021-08-26 17:01:53 +03:00
4c28a4cac8 add type converters for numerical arrays in read/write Python functions 2021-08-26 13:14:46 +03:00
2911e91941 make dim an optional argument in read_ functions
if dim is None - the function read all necessary dimensions from the TREXIO file
2021-08-24 12:51:43 +03:00
1b05157316 get HDF5 compilation flags from pythonic pkgconfig 2021-08-24 11:48:46 +03:00
f30c6f60a6 document test_api file 2021-08-21 13:14:59 +03:00
8b22494f2f LDFLAGS may contain several items and should be passed second 2021-08-20 16:31:22 +03:00
09823dd6a0 more portable build of the Python extension module with HDF5 paths propagated from configure script 2021-08-20 15:21:49 +03:00
5d5025ae1d get rid of _safe suffix and add dimension to read_dset_str functions 2021-08-20 13:43:15 +03:00
8d8658fabf minor cleaning + exception handling for an unsafe call to the safe API 2021-08-18 15:42:10 +03:00
902147b45b better structure of the python directory 2021-08-18 15:40:42 +03:00
4ebd13b040 change pytrexio to trexio + comments on compatibility tags and editable installations 2021-08-18 13:46:16 +03:00
cb1e83ca57 adapt tests to check both pytrexio and trexio_api modules 2021-08-18 13:40:27 +03:00
31b14a891a make trexio a Python package instead of a module to fix some installation issues 2021-08-18 13:26:57 +03:00
9f8b6838df minor cleaning 2021-08-18 13:15:23 +03:00
808adc7cd8 add typemaps and tests for numpy int arrays
+ some cleaning in the Python test and SWIG interface files
2021-08-06 14:04:29 +03:00
d0c19e0ce0 pytrexio build and pip install working 2021-08-05 17:55:34 +03:00
bb18a9c826 minor cleaning 2021-08-05 17:48:53 +03:00