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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-12-23 04:43:57 +01:00
Commit Graph

1036 Commits

Author SHA1 Message Date
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
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
b7577c5012 [wheel build] Fix single-precision in float scalars 2023-05-05 12:54:51 +02:00
00f179d7f9 Added Python example 2023-05-05 09:22:08 +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
fbd44013db
Bumd the minor version after the release 2023-04-03 22:45:54 +02:00
6aa2a9ee25
Update Guix manifest with v.2.3.0 2023-04-03 22:44:12 +02:00
Evgeny Posenitskiy
f4b409c501
[wheel build] Release Python API 1.3.0 2023-04-03 21:40:59 +02:00
1adaec0da0 Update pseudo documentation 2023-03-28 10:40:49 +02:00
bd7374ebe3
Merge pull request #113 from TREX-CoE/preprocessor
made unique_rank a preprocessor variable
2023-03-26 13:55:52 +02:00
5ad8ae8210
Merge pull request #114 from TREX-CoE/cleaning_bitfields
Reducing scope of variables
2023-03-26 13:55:35 +02:00
6c279bae6f Reducing scope of variables 2023-03-24 09:59:44 +01:00
db655ce71c made unique_rank a preprocessor variable 2023-03-24 09:49:02 +01:00
7955bc1d8e Fixed compilation with IBM compiler 2023-03-06 16:44:16 +01:00
2465293581 Fixed documentation 2023-02-28 09:44:09 +01:00
d63bc67892 Fixed RDMs in documentation 2023-02-27 15:47:52 +01:00
d37f4d6610 Improved documentation 2023-02-17 17:41:36 +01:00
e321abc6f4 Additional example 2023-02-17 15:48:20 +01:00
87035ba5c8 Removed RDM down-up which was redundant with up-down 2023-02-14 15:27:25 +01:00
fb711e1bed Fixed #111 2023-01-20 10:31:56 +02:00
986f5d8bf8
Merge pull request #110 from TREX-CoE/no_hl
Removed dependency on hdf5_hl library
2023-01-19 01:31:34 +01:00
19d167f3ce Merge branch 'no_hl' of github.com:TREX-CoE/trexio into no_hl 2023-01-19 01:25:19 +01:00
37fd013f6c Improve HDF5 detection 2023-01-19 01:21:49 +01:00
2067ff23ac Improve HDF5 detection 2023-01-19 00:39:26 +01:00
Evgeny Posenitskiy
c320ed0b88 Update README 2023-01-19 00:15:49 +01:00
fc7ddaddc0 Fixing HDF5 detection 2023-01-19 00:14:01 +01:00
22c438dbc5 ChangeLog 2023-01-18 23:54:54 +01:00
0bda2330c7 Fix confgure.ac 2023-01-16 19:29:06 +01:00
5742221eb2 If header is not found, try pkgconfig 2023-01-16 19:26:52 +01:00
aa4e9ca7d3 Fixed pkg-config 2023-01-16 19:18:58 +01:00
a385fa7010 Cleaned also python 2023-01-16 14:58:35 +01:00
8da5c2215b Removed dependency on hdf5_hl 2023-01-16 14:54:17 +01:00
5dff6491aa Removed H5LTfind_dataset 2023-01-14 11:54:42 +01:00
3f0a3d62ad Revert "Update README"
This reverts commit c8e37863c7.
2023-01-13 15:54:28 +01:00
67e6054898 Merge branch 'master' of github.com:TREX-CoE/trexio 2023-01-13 15:47:33 +01:00
9355609ced Rewrote HDF5 detection 2023-01-13 15:47:23 +01:00
Evgeny Posenitskiy
c8e37863c7
Update README 2023-01-11 19:34:27 +01:00
Evgeny Posenitskiy
4e8909d9cd
Add extern C pre-processing macro for C++ 2023-01-11 19:03:57 +01:00
e2d8cd1972 Added reciprocal space vectors 2023-01-10 18:48:30 +01:00