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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-08-24 22:21:43 +02:00
Commit Graph

1044 Commits

Author SHA1 Message Date
8428a0ab0f Fix compiler warning during strncpy
The size of 32 correspond to previously allocated block of memory and SHOULD be adapted accordingly
2022-07-11 16:36:58 +02:00
b656b13cc6 More portable directory macros 2022-07-11 16:28:46 +02:00
7b408aed2e Enforce C99 standard during pytrexio compilation 2022-07-11 15:32:57 +02:00
6d0293a379 Disable the malloc check to improve cross-compilation
For example, compiling with gcc compiler with -fsanitize=address flag with use a different library for malloc-ing. This will fail if Autoconf add some symbols due to the use of AC_FUNC_MALLOC
2022-07-08 18:12:50 +02:00
3ccbb4e718 Better Fortran tests for arrays of strings 2022-07-08 12:27:24 +02:00
3cd7cac8f1 Fix potential buffer overflows in text back end 2022-07-08 12:26:23 +02:00
Evgeny Posenitskiy
1bc4fe44e3
Add AddressSanitizer debug to the CI 2022-07-08 11:26:17 +02:00
2d1a3da8bc Revert "Bump version of python interface"
This reverts commit 14d5a23c23.
2022-07-04 17:03:55 +02:00
14d5a23c23 Bump version of python interface 2022-07-04 16:00:08 +02:00
583749b242 ChangeLog 2022-07-04 15:47:10 +02:00
dbd51bcb4f Merge branch 'master' into csf 2022-07-04 15:46:49 +02:00
a8c3619655
Add UHF possibility (#96) 2022-07-04 14:35:24 +02:00
2b20776615
Merge pull request #95 from TREX-CoE/add-has-group
Add trexio_has_group functionality
2022-07-04 13:01:18 +02:00
0f3a08105e
Merge branch 'master' into add-has-group 2022-07-04 12:57:53 +02:00
c33e203a0b Update version in OCaml 2022-07-04 12:56:29 +02:00
e953d15bbd Add has_group in OCaml 2022-07-04 12:55:09 +02:00
d8e6f43ac1 Better packaging 2022-07-04 12:50:07 +02:00
19c30fce53 Update dune file for OCaml 2022-07-04 12:50:07 +02:00
72e44a918e Update repo name for OCaml 2022-07-04 12:50:07 +02:00
3b47f26b0a Fix Makefile.am 2022-07-04 12:50:07 +02:00
d23c3b3308 Forgot Makefile in previous commit 2022-07-04 12:50:07 +02:00
950ae7a508 make ocaml-install in Makefile.am 2022-07-04 12:50:07 +02:00
f3ab78376c Update ChangeLog 2022-07-04 11:26:17 +02:00
2a35d423ca Add the minimal pre-commit config 2022-07-04 11:24:30 +02:00
405f19c4bc Adapt the tests 2022-07-04 11:23:47 +02:00
0bbe16efce Adapt the TEXT back end builder script 2022-07-04 11:23:04 +02:00
4ed3e0c6d0 Implement trexio_has_group templates 2022-07-04 11:22:31 +02:00
add6a549d8 Update dune file for OCaml 2022-07-01 16:56:45 +02:00
9912b09596 Update repo name for OCaml 2022-07-01 16:18:39 +02:00
34563a2a76 Fix Makefile.am 2022-07-01 15:17:50 +02:00
94f2adf1f2 Forgot Makefile in previous commit 2022-07-01 15:16:21 +02:00
6494ddbc22 make ocaml-install in Makefile.am 2022-07-01 15:06:19 +02:00
45bd38df80 Merge branch 'master' into csf 2022-07-01 10:45:57 +02:00
a5632ab7a8 Introduced OCaml interface 2022-07-01 10:34:09 +02:00
5e4531f810 Typos 2022-07-01 10:29:44 +02:00
Evgeny Posenitskiy
a77021c9d3
Add missing deallocation and error handling 2022-06-28 10:15:38 +02:00
5f259d8e19
Update examples.org 2022-06-27 17:17:08 +02:00
3c2197b36a
Update examples.org 2022-06-27 17:15:27 +02:00
d478497af9 Added CSF group 2022-06-24 12:04:57 +02:00
d5df21cf0c
TREXIO logo in readme 2022-06-16 17:18:56 +02:00
189f6de6a9 Upgrade the minor versions after the release 2022-06-03 11:37:02 +02:00
6fa97ac21d Add conda badges 2022-06-03 11:32:15 +02:00
Evgeny Posenitskiy
4f07eb0953
[wheel build] PyPI release 2022-06-03 10:38:13 +02:00
Evgeny Posenitskiy
4adf6484ba
[wheel build] test PyPI 2022-06-03 10:02:49 +02:00
3078f825e7 Revert "Upgrade the minor version before the release"
This reverts commit 22531b47eb.
2022-06-03 09:51:31 +02:00
22531b47eb Upgrade the minor version before the release 2022-06-03 09:49:15 +02:00
d8cc5dc790 Fixes for the Python API 2022-06-03 09:46:23 +02:00
q-posev
53a408953d Update the wheels scripts and add benzene data 2022-06-01 17:52:52 +02:00
q-posev
2876d73885 Switch to pytest for unit testing 2022-06-01 17:42:30 +02:00
q-posev
129f5b6f83 Including conda and pytest in README 2022-06-01 17:02:41 +02:00