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Author	SHA1	Message	Date
q-posev	8917cb747b	better README	2021-09-14 09:48:55 +02:00
Anthony Scemama	a880b0b354	Added tutorial_benzene.md	2021-09-13 18:09:06 +02:00
q-posev	71f4006987	better README + Binder badge	2021-09-13 17:21:34 +02:00
q-posev	7c0b7a36ba	update Tutorial section and add Binder badge	2021-09-13 17:20:51 +02:00
q-posev	bff44a8f64	add gitignore	2021-09-13 14:54:25 +02:00
q-posev	3b0c1a637d	more flexible build_manylinux_ bash script	2021-09-13 14:54:00 +02:00
q-posev	d04106f72d	max_str_len should be int32_t to properly check for negative values	2021-09-13 13:35:45 +02:00
q-posev	1589995775	do not use warnings for an attempt to overwrite in the Python API	2021-09-13 11:46:31 +02:00
q-posev	2bd4ef9bfd	add has_ functions to the Python API	2021-09-13 11:29:00 +02:00
q-posev	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
q-posev	d060808467	do not reveal paths to trexio (security concerns)	2021-09-12 13:36:24 +02:00
q-posev	12dd1fd8dc	apply some suggestions from cppcheck	2021-09-12 13:25:03 +02:00
q-posev	97f1d3b723	better documentation	2021-09-12 12:27:08 +02:00
q-posev	b1f1aee7ab	Merge branch 'master' into swig-python	2021-09-10 14:04:15 +02:00
q-posev	ab3f56c023	remove jupyter from requirements.txt	2021-09-10 14:02:10 +02:00
q-posev	93c13e7824	Merge branch 'swig-python' of github.com:TREX-CoE/trexio into swig-python	2021-09-10 13:54:30 +02:00
q-posev	39c7587b5e	more portable setup of environment variables for install_pytrexio.sh	2021-09-10 13:36:51 +02:00
q-posev	40d5fc31fc	check that the data object exists before reading it from the file	2021-09-10 09:38:26 +02:00
q-posev	c63d420c7f	WIP: Docker containers and bash scripts to produce manylinux wheels for different platforms	2021-09-09 17:35:24 +02:00
q-posev	dcfe1da870	better documentation	2021-09-09 17:29:17 +02:00
q-posev	569fac5578	move set_NUMPY_INCLUDEDIR into tools directory	2021-09-09 17:28:37 +02:00
q-posev	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
q-posev	58b611e21b	add setuptools and jupyter to requirements.txt	2021-09-09 15:08:01 +02:00
q-posev	09937c58c5	better README	2021-09-09 15:06:26 +02:00
q-posev	b9bbf178c5	add make python-sdist rule	2021-09-09 15:06:16 +02:00
q-posev	a8d14f4c79	better README for python	2021-09-08 19:53:45 +02:00
q-posev	04529823f6	add README file for the Python API	2021-09-08 19:34:16 +02:00
q-posev	67e59f156c	explicitly provide __version__ attribute of the trexio module	2021-09-08 19:28:18 +02:00
q-posev	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
q-posev	f24a274c4d	add requirements file with packages needed for a proper setup	2021-09-07 17:32:23 +02:00
q-posev	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
q-posev	96678fea2e	adapt write functions to receive multidimensional arrays or lists	2021-09-07 17:14:23 +02:00
q-posev	3e82fd9ae8	FIX: a bug that was leading to Python and valgrind errors	2021-08-31 12:11:22 +03:00
q-posev	ced8210ff0	BUG: trexio_open fails when test script is executed from outside the root test directory	2021-08-30 18:23:24 +03:00
q-posev	74c69bb293	better Exception handling with custom exception class	2021-08-30 18:04:35 +03:00
q-posev	ad44e29e95	fix bug with Python version import	2021-08-30 15:08:26 +03:00
q-posev	cf51d3971f	read module version from _version.py file	2021-08-30 13:46:11 +03:00
q-posev	fdc9a975b9	add empty line between function headers	2021-08-30 12:52:36 +03:00
q-posev	b8aff45d3b	add notes on Python build and installation issues	2021-08-27 16:14:33 +03:00
q-posev	5a2b4d96a7	reshape output arrays by default when reading from the file	2021-08-27 16:08:39 +03:00
q-posev	7b5ebf6272	implement TREXIO File class and change import of pytrexio module	2021-08-26 17:01:53 +03:00
q-posev	4c28a4cac8	add type converters for numerical arrays in read/write Python functions	2021-08-26 13:14:46 +03:00
q-posev	d4badd0cf4	Fix build issues on OLYMPE	2021-08-25 16:49:27 +03:00
q-posev	1dcd32ef7d	add SWIG typemaps for safe API calls in single and double precision	2021-08-25 13:31:17 +03:00
q-posev	ed7e3902e2	add memory-safe functions in single or double precision	2021-08-24 13:32:01 +03:00
q-posev	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
q-posev	c7565e9dec	minor changes	2021-08-24 11:51:29 +03:00
q-posev	1b05157316	get HDF5 compilation flags from pythonic pkgconfig	2021-08-24 11:48:46 +03:00
q-posev	c3cc76c492	fix a typo and add SWIG to requirements for developers	2021-08-24 11:39:46 +03:00
q-posev	f30c6f60a6	document test_api file	2021-08-21 13:14:59 +03:00