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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-11-03 20:54:07 +01:00
Commit Graph

692 Commits

Author SHA1 Message Date
5cf12131f1 Fix text back end for read-only directories (make distcheck in qmckl) 2021-10-13 17:43:15 +02:00
d017306706 Better error handling with open in text back end 2021-10-13 16:13:24 +02:00
51e64094e6 Merge branch 'master' of github.com:TREX-CoE/trexio 2021-10-13 14:25:01 +02:00
954b26ccff Update README 2021-10-13 14:24:54 +02:00
2bdcf87a55 Fix #62 : raise autoconf error when not in developer mode
but trying to configure the GitHub repo clone.

This is required because TREXIO source files can either be generated in developer mode (using emacs org-mode files) or obtained from the source code distribution.
2021-10-12 15:55:58 +02:00
b852a060d1 Merge branch 'master' of github.com:TREX-CoE/trexio 2021-10-11 12:15:24 +02:00
fb9c95bd61 add version attributes to the Fortran module 2021-10-08 13:55:56 +02:00
a8bdb9b00e update current version to 1.1 2021-10-08 13:03:35 +02:00
aadaf2db8d better README 2021-10-07 14:06:56 +02:00
c19f9ee063 Documentation 2021-10-07 12:53:52 +02:00
68087b2ccc Merge branch 'master' of github.com:TREX-CoE/trexio 2021-10-07 12:53:09 +02:00
9f1d2dad02 Merge branch 'master' of github.com:TREX-CoE/trexio 2021-10-07 09:54:34 +02:00
947a8a12f8 Fix bug due to PACKAGE_VERSION definition in trexio.h 2021-10-07 09:54:19 +02:00
9f2b4b9075 Remove warning when tangling 2021-10-06 10:31:06 +02:00
q-posev
01e4476c19 minor update for better Python builds 2021-10-01 10:48:13 +02:00
Evgeny Posenitskiy
0cba81fc38
Merge pull request #61 from TREX-CoE/fix-numpy-dependency
Pin minimal required numpy versions
2021-09-30 21:46:00 +02:00
35cb07d11b upgrade TREXIO major version before release 2021-09-30 17:26:58 +02:00
6262fd6e9f pin numpy versions to avoid RuntimeError when importing trexio 2021-09-30 17:23:43 +02:00
68284161d3 downgrade numpy.i SWIG interface to numpy 1.17.3 2021-09-30 17:22:50 +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
2e2dac3982 modify rc_open only if it is not a NULL pointer 2021-09-24 12:23:59 +02:00
0027e9cb74 try alternative submodules feature for GitHub CI 2021-09-24 12:09:40 +02:00
d3763be829 clone git submodule to setup org-mode HTML themes for GitHub pages 2021-09-24 10:18:03 +02:00
b5d513ae36 update the latest commit of trexio-tutorials submodule 2021-09-24 10:05:07 +02:00
591a807f12 fix typo to properly setup readtheorg HTML theme 2021-09-24 09:59:26 +02:00
f7565e8083 return org-html-themes submodule 2021-09-24 09:46:42 +02:00
15b48a469b remove org-html-themes for submodules 2021-09-23 15:45:11 +02:00
8ef0c1963f add unit tests in C for trexio_open errors 2021-09-22 16:43:18 +02:00
67b00efa9c handle return error of trexio_open in the Python API 2021-09-22 16:40:55 +02:00
9457a826d2 return error code from trexio_open [C, Fortran] 2021-09-22 14:50:22 +02:00
Evgeny Posenitskiy
b7dc5fc49f
Merge pull request #59 from TREX-CoE/general-attributes
General numerical attributes (float, int, dim types)
2021-09-22 13:33:43 +02:00
7477a8a343 update tutorial in docs and enhance the format 2021-09-22 12:16:32 +02:00
187b15ddd6 fix io_num tests 2021-09-22 11:41:29 +02:00
14472cda48 better error handling in case of invalid dimensioning variable 2021-09-22 11:33:27 +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
389d265f7f fix cppcheck warnings regarding redundant size_dset_str checks 2021-09-21 16:08:04 +02:00
d1a9af4185 remove blank spaces in front of pointers 2021-09-21 15:54:11 +02:00
788f7e666d read single numerical attributes based on _isSet bool flag 2021-09-21 15:41:12 +02:00
d5405e700c raise TREXIO_INVALID_ARG_2 also when writing zero as dimensioning variable 2021-09-21 14:35:29 +02:00
6459543afd better front end documentation for numerical attributes 2021-09-21 10:58:07 +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
ce0d98b984 add conversion of float-like attributes into an output tuple 2021-09-20 15:52:55 +02:00
2497a80f90 adapt triggers in the generator_tools 2021-09-20 15:51:57 +02:00
4b9827048f adapt the templates in back ends 2021-09-20 15:51:36 +02:00
261e7c8b84 modify front end for more general numerical attributes 2021-09-20 13:16:44 +02:00
Evgeny Posenitskiy
418aa304cd
Merge pull request #57 from TREX-CoE/swig-python
Add tools and README for manylinux wheels
2021-09-16 16:45:30 +02:00
04c4b8806c Merge branch 'master' into swig-python 2021-09-16 16:41:46 +02:00
79f233e00d completed README 2021-09-16 16:40:29 +02:00