fe75b72752
Fix bug: clean docs/ only in the maintainer mode
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Previously there was an issue that make clean in the distribution tarball was cleaning the docs/ directory but there was no rule to tangle the HTML files when not in the maintainer mode
2022-01-13 13:26:12 +01:00
d8f4e4206d
Typo in doc
2022-01-10 19:21:28 +01:00
77dbd5fa43
Typo in doc
2022-01-10 10:34:27 +01:00
9a6eb9a0f1
Merge branch 'master' of github.com:TREX-CoE/trexio
2022-01-10 10:26:58 +01:00
4c6b84685c
Document RDM
2022-01-10 10:26:48 +01:00
edcaf537bd
[wheel build] publish the Python API 1.1.0 on PyPI
2022-01-07 19:40:52 +01:00
Evgeny Posenitskiy
dcb976010f
Automate build and upload of CPython wheels ( #72 )
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* use PyPA build package to produce wheels
* update the Makefile and install_pytrexio to use PyPA build package
* remove MacOS-11 from runners
* [MacOS] portable expression for FreeBSD sed
* disable usage of NUMPY_INCLUDEDIR env variable
* activate PyPI upload and disable TestPyPI
2022-01-07 18:47:23 +01:00
1aaca05b51
Documentation: changed ordering of spherical functions
2022-01-07 15:37:02 +01:00
acff2de611
safer struct
2022-01-07 11:58:24 +01:00
64081e46ad
cppcheck fixes
2022-01-07 11:50:55 +01:00
98e303ffe2
Merge branch 'master' of github.com:TREX-CoE/trexio
2022-01-07 11:22:44 +01:00
3f4b8e2c7e
cppcheck fixes
2022-01-07 11:21:12 +01:00
Evgeny Posenitskiy
77f0f3f992
[wheel build] fix actions.yml
2022-01-07 11:08:36 +01:00
f1e3d34ea4
[wheel build] test GitHub actions
2022-01-07 11:03:00 +01:00
dbb6f78397
cppcheck fixes
2022-01-07 11:01:23 +01:00
1a5babd403
incorporate changes from the stand-alone trexio-pypi-test repo
2022-01-07 10:25:09 +01:00
3787226fd1
overlapping changes
2022-01-07 09:58:03 +01:00
1f7386c4ca
Missing break in front end
2022-01-07 08:57:45 +01:00
fc08ee68ef
Merge branch 'master' of github.com:TREX-CoE/trexio
2022-01-05 14:05:25 +01:00
Evgeny Posenitskiy
c687c80f92
Merge pull request #71 from TREX-CoE/add-sparse-datasets
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Add Python API for sparse datasets
2022-01-05 13:57:32 +01:00
b65ec031dc
rename returned variable to n_int_read
2021-12-27 17:17:00 +01:00
4ef5386ae6
[cppcheck] fix some warnings
2021-12-27 16:29:26 +01:00
6ab5c67ebe
[pre-release] upgrade versions and produce wheels for CPython 3.10
2021-12-27 16:26:17 +01:00
0cadb4ea0b
add the tests for the top-level Python API of sparse data
2021-12-27 14:02:58 +01:00
31ffa574ab
finish top-level Python API for sparse data
2021-12-27 14:00:46 +01:00
722c546113
documentation for sparse arrays
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+ add safe functions to Fortran API
2021-12-24 12:40:23 +01:00
c92cae947f
[WIP] adapt the test of the low-level (pytrexio) API for sparse data
2021-12-24 11:51:06 +01:00
c18a330eab
[WIP] working read/write of sparse data in the low-level (SWIG) Python API
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TODO: top-level Python API with error handling and truncation of output arrays when EOF is encountered (low-level API fills the remaining elements with garbase)
2021-12-24 11:49:54 +01:00
0a8aa638f6
fix double deallocation in text back end
2021-12-23 18:49:00 +01:00
72897e4b5d
[WIP] read/write of sparse data in Python
2021-12-23 18:27:24 +01:00
c2376bf168
Fixed bug in text back-end when reading empt attributes
2021-12-23 18:21:17 +01:00
Evgeny Posenitskiy
8ca74ffef1
Merge pull request #70 from TREX-CoE/add-sparse-datasets
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- Add sparse datasets
- Modularize generator_tools.py
2021-12-17 17:13:22 +01:00
q-posev
31ccd27a0a
fix warnings on MacOS
2021-12-17 17:07:53 +01:00
2639b76a6e
optimize storage of indices depending on the size_max variable [TEXT]
2021-12-17 15:32:03 +01:00
1e457c497d
Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
2021-12-17 13:33:42 +01:00
daa5bdb3cc
(inout) buffer size instead if (out) [Fortran]
2021-12-17 13:33:27 +01:00
314beb58c9
refactoring done; moved common blocks into _hdf5_open_read_dset_sparse
2021-12-17 13:32:35 +01:00
5605be77bb
Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
2021-12-17 11:03:29 +01:00
9b4d11be69
Better documentation in examples
2021-12-17 11:03:09 +01:00
1c49c81da8
[WIP] refactoring; write_dset_sparse done
2021-12-16 16:52:35 +01:00
968cfaa3bb
Merge branch 'add-sparse-datasets' of github.com:TREX-CoE/trexio into add-sparse-datasets
2021-12-16 11:06:12 +01:00
fafb155228
return the number of read elements if read_sparse reached EOF
2021-12-16 11:05:57 +01:00
0837da9bbe
Added documentation
2021-12-16 00:11:36 +01:00
1514f6eb83
Merge branch 'master' into add-sparse-datasets
2021-12-15 22:54:30 +01:00
6705f199b8
Removed -no-install
2021-12-15 13:46:32 +01:00
2e99a14b6e
read dim variable of sparse dset to compress storage of indices in HDF5
2021-12-14 18:03:51 +01:00
a8b251d820
write sparse values and compress int indices depending on the max num value
2021-12-14 18:02:58 +01:00
ba758e991f
improve tests
2021-12-14 17:46:04 +01:00
b90abcc307
fix memory leak in the Fortran test
2021-12-13 09:59:27 +01:00
070ef06818
better error handling for HDF5
2021-12-10 16:49:31 +01:00
