Evgeny Posenitskiy
cdf25b4162
Merge pull request #49 from TREX-CoE/index
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Add index in files
2021-06-14 09:34:36 +02:00
q-posev
f3abcdfd4b
add HDF5 and Autotools to requirements
2021-06-11 09:55:37 +02:00
65fe15b3e7
removed trex.json
2021-06-10 01:51:28 +02:00
bec752361c
Index OK
2021-06-10 01:49:43 +02:00
1b504d92bf
Merge branch 'master' into index
2021-06-10 00:32:20 +02:00
15a2386360
update json
2021-06-09 23:44:56 +02:00
fe4a4fa99b
Working on basis set
2021-06-09 16:56:02 +02:00
Evgeny Posenitskiy
a9bc1fd44e
create actions.yml for CI on Ubuntu and MacOS ( #38 )
2021-06-07 14:05:41 +02:00
ea9ffaea43
Fix fortran tests
2021-06-04 18:14:45 +02:00
31bf17c66a
Merge branch 'master' into evgeny
2021-06-04 17:30:51 +02:00
34478e366a
resolve front end
2021-06-04 17:28:56 +02:00
1bfc8d0c6c
fix typos
2021-06-04 17:02:14 +02:00
4549276e86
Add trexio_set_one_based in fortran interface
2021-06-04 15:00:13 +02:00
77f2858548
Add index in files
2021-06-04 14:43:27 +02:00
84cc086228
Merge pull request #48 from TREX-CoE/automake
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Automake
2021-06-04 14:14:58 +02:00
2e3df57344
Fixed parallel builds
2021-06-04 14:11:17 +02:00
ed1393f5de
Merge branch 'automake' of github.com:TREX-CoE/trexio into automake
2021-06-03 13:56:49 +02:00
75af136d4f
Moved sparse documentation in src/templates_front/templator_front.org
2021-06-03 13:56:45 +02:00
5043d058bd
Merge branch 'automake' of github.com:TREX-CoE/trexio into automake
2021-06-03 09:57:57 +02:00
a5ae1d239b
Improve HDF5 in configure
2021-06-03 01:25:20 +02:00
06153d10cc
add C test for file reopening to write missing blocks
2021-06-02 20:22:34 +02:00
693f8d3846
fix file reopening for writing new variables
2021-06-02 20:19:39 +02:00
093692c785
fix Fortran test + add clean-local target
2021-06-02 18:45:05 +02:00
7a9d078859
remove append mode
2021-06-02 14:40:23 +02:00
f5542571d1
remove test of append mode
2021-06-02 14:34:49 +02:00
8f570d2fd9
fix C test
2021-06-02 14:24:27 +02:00
0b5136f14c
add error handling for an attempt to overwrite something
2021-06-02 14:23:58 +02:00
6d1e9df1a3
Fixing HDF5 in configure
2021-06-02 12:09:26 +02:00
ed66a8c0cf
Fixed Fortran test
2021-06-02 11:54:07 +02:00
6ee9221f33
Fix Makefile.am
2021-06-02 11:39:35 +02:00
8aa4721758
Documentation
2021-06-02 11:19:03 +02:00
40cecd1f4e
Typo
2021-06-02 10:44:03 +02:00
3a6e7c93af
Function prototypes in tests
2021-06-02 10:27:11 +02:00
f6407397cf
Typo
2021-06-02 00:02:42 +02:00
69ffb6c3b5
Tests fail
2021-06-01 15:03:37 +02:00
8b580fee4a
Automake done. Need to improve tests
2021-05-28 13:36:39 +02:00
893dda8581
Working on configure
2021-05-28 12:34:58 +02:00
732780430d
Working on automake
2021-05-28 12:23:19 +02:00
b172b506ff
Moved config.h in include
2021-05-28 12:19:15 +02:00
e46d314a5f
Check for C99
2021-05-28 12:16:32 +02:00
1c0b17f809
Removed obsolete AC_PROG_CC_C99
2021-05-28 11:43:34 +02:00
bddb2e0269
synchronize trex.json
2021-05-27 23:31:30 +02:00
7f241687a8
Added autogen.sh
2021-05-27 23:29:38 +02:00
70531b0ff6
more general group_dset_h5_dtype variable in the templates [hdf5]
2021-05-27 13:59:45 +02:00
1575c1f4d0
add functions for has/read/write_dset_str [front]
2021-05-27 13:58:35 +02:00
Evgeny Posenitskiy
29d927675e
Major refactoring of the generator script ( #47 )
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* minor cleaning
* create functions for dictionary parsers in the external file
* remove files_exclude since post-processing does the job
* no need to have group_group_dset when propagatin dsets
* oneliner for paths to templates
* add dset_per_group dict
* add function to iteratively populate string based on triggers list
* added recursive replacer for numbers
* add recursive replaces for datasets
* add function for text groups [iterative+recursive upd]
* do not define triggers in the master script
* transition to helper dictionaries
* cleaning
* comment main code blocks
* rearrange parameters
* add documentation strings to the functions
* minor cleaning and changes
* adapt build_trexio script
* add consisteny check for dimensioning variables
2021-05-26 19:11:46 +02:00
331e3d64fd
Added prim_factor
2021-05-25 00:01:59 +02:00
1618441112
Fixed JSON
2021-05-24 15:45:30 +02:00
c5779f17f9
Detect error in JSON.org
2021-05-24 15:01:04 +02:00
32a44df569
More documentation in TREX JSON
2021-05-21 14:04:19 +02:00
