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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-12-22 12:23:54 +01:00
Commit Graph

1074 Commits

Author SHA1 Message Date
3b043768d8 Fixed tests (HDF5 instead of text) 2023-06-02 19:37:53 +02:00
6a8801bd9c Fix python-install 2023-06-02 15:14:29 +02:00
cb629ccb03 Fix bug in python interface for writing CI coefficients 2023-06-02 15:09:02 +02:00
d8a37b26bf Silence dead code warnings with clang 2023-06-02 14:57:20 +02:00
5e87794180 Better search for hdf5 in python-install 2023-06-02 14:53:54 +02:00
7b6de725b5 Fixed formats in tests 2023-06-02 14:25:56 +02:00
9d061c6999
Merge pull request #122 from TREX-CoE/fix_gfortran
Fix gfortran
2023-06-02 14:00:12 +02:00
97b8d8db13
Merge branch 'master' into v2.3 2023-05-22 12:21:59 +02:00
7206d51760 Fixed tests with gfortran 4 2023-05-22 12:19:58 +02:00
96463a8376 Fixing too modern fortran test 2023-05-22 12:16:41 +02:00
e6b9ee62ad Fixing too modern fortran test 2023-05-22 12:10:20 +02:00
Evgeny Posenitskiy
b51896e885
Merge pull request #115 from TREX-CoE/cppcheck
Cleaning Cppcheck warnings and refactor tests
2023-05-14 12:42:01 +02:00
3c76adbad5 Improved io_dset_sparse.c test 2023-05-13 12:28:17 +02:00
cafed105a4 Multiple tests for io_dset_sparse 2023-05-13 12:05:56 +02:00
e226bee166 Merge branch 'master' into cppcheck 2023-05-12 19:27:00 +02:00
16b9e0bcdc
Merge pull request #119 from TREX-CoE/state
Improvement on state
2023-05-12 19:21:58 +02:00
a1ed253dc4 Implemented index for scalar values 2023-05-12 12:30:00 +02:00
efd7fab7ed state_id is an index+added energy 2023-05-12 01:33:57 +02:00
8e48c75348 Fixing MacOS builds 2023-05-11 23:11:52 +02:00
7edde4f1fb Bump to version 2.3.2 with #118 2023-05-11 23:08:37 +02:00
Evgeny Posenitskiy
b8e749e963
Merge pull request #118 from TREX-CoE/fix_nohdf5
Fix nohdf5
2023-05-10 16:21:34 +02:00
d4d6da9850 Fix no-HDF5 2023-05-10 16:02:57 +02:00
4ac80d0424 Improve Makefile.am 2023-05-10 15:53:38 +02:00
8b3d237c1f Working on io_dset_sparse.c. Not finished 2023-05-10 15:52:50 +02:00
Evgeny Posenitskiy
1bd70ed002
[skip ci] Formatting 2023-05-08 16:41:40 +02:00
Evgeny Posenitskiy
db7311e16a
[skip ci] Add citations 2023-05-08 16:38:07 +02:00
Evgeny Posenitskiy
0df3a70bbe
[wheel build] No need to build from several MacOS runners 2023-05-05 17:06:15 +02:00
Evgeny Posenitskiy
4d00c44e8e
[wheel build] MacOS CI fix 2023-05-05 16:44:07 +02:00
Evgeny Posenitskiy
e937d6cb1c
[wheel build] Fix gfortran version on macos-12 2023-05-05 16:25:18 +02:00
Evgeny Posenitskiy
59fe3de505
[wheel build] Fix MacOS CI, part 2 2023-05-05 16:21:09 +02:00
Evgeny Posenitskiy
742f797d1a
[wheel build] Fix MacOS CI 2023-05-05 15:54:12 +02:00
Evgeny Posenitskiy
55c1998ba3
[wheel build] Better MacOS CI and rm manylinux-2010 build (EOL) 2023-05-05 15:25:51 +02:00
25780f9c16 Merge branch 'master' into cppcheck 2023-05-05 13:37:58 +02:00
8eb1ac75d8 [wheel build] Fix single-precision in float scalars 2nd try 2023-05-05 13:37:44 +02:00
c23bc20e4e Fixes #116 2023-05-05 13:20:58 +02:00
bb90e6b159 Merge branch 'master' into cppcheck 2023-05-05 12:55:12 +02:00
b7577c5012 [wheel build] Fix single-precision in float scalars 2023-05-05 12:54:51 +02:00
8f5220b0ea [wheel build] Fix single-precision in float scalars 2023-05-05 12:44:08 +02:00
0d37dcd97b Fixes #116 2023-05-05 12:30:32 +02:00
00f179d7f9 Added Python example 2023-05-05 09:22:08 +02:00
ffb87acc4a Refactored tests 2023-05-02 14:45:51 +02:00
5663487b8e Fixed 32bit case for indices 2023-05-02 10:22:53 +02:00
3a4691e667 Merge branch 'master' into cppcheck 2023-05-02 09:44:12 +02:00
13567fceb8 [wheel build] Set version number to 2.3.1 for fixing text backend in python 2023-04-26 10:10:42 +02:00
99bb01a9f0 Merge branch 'master' of github.com:TREX-CoE/trexio 2023-04-12 15:00:23 +02:00
d9a15c12d3 Fixed text back-end in Python 2023-04-12 15:00:10 +02:00
bd58998d04 Fixed S_ISDIR 2023-04-12 13:16:16 +02:00
q-posev
d4d24ff102
Better README [skip ci] 2023-04-03 23:41:02 +02:00
2f939ee4c4
Cleaner CI 2023-04-03 22:53:02 +02:00
3646825790
Remove HL HDF5 from CMake 2023-04-03 22:48:42 +02:00