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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-10-30 02:38:28 +01:00
Commit Graph

1106 Commits

Author SHA1 Message Date
c0879ad974 Add Guix manifest to the distribution 2022-07-28 14:14:42 +02:00
46385517e1 Add instructions for Spack users 2022-07-28 13:48:56 +02:00
659110aa38 Minor fix to indicate that trexio is a custom module 2022-07-28 13:48:39 +02:00
83a5308086 Adapt the description [Guix] 2022-07-26 16:46:18 +02:00
351c2bcffa Update manifest to link against any HDF5 2022-07-26 15:54:33 +02:00
91defb120f Add instructions for Guix users 2022-07-26 14:05:55 +02:00
25517f3f77 Update the Guix manifest file for trexio package 2022-07-26 14:05:30 +02:00
Evgeny Posenitskiy
43bb57de59
Fix line truncation 2022-07-12 19:35:15 +02:00
2ed5251004 Update ChangeLog 2022-07-12 17:59:45 +02:00
755e94afab Add tests for to_bitfield_list conversion 2022-07-12 17:21:53 +02:00
af828ea6cd Implement trexio_to_bitfield_list functions in all APIs 2022-07-12 17:21:08 +02:00
e8dffaac15 Manually append -fPIC flag
This solves issues with some compilers, e.g. Intel ones, which fail to resolve some linking symbols when configured in a simple manner (./configure CC=icc FC=ifort)
2022-07-12 17:07:38 +02:00
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