e4073d0a8c
add PyPI version badge to README
2022-01-17 19:14:58 +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
f1e3d34ea4
[wheel build] test GitHub actions
2022-01-07 11:03:00 +01:00
1a5babd403
incorporate changes from the stand-alone trexio-pypi-test repo
2022-01-07 10:25:09 +01:00
fc08ee68ef
Merge branch 'master' of github.com:TREX-CoE/trexio
2022-01-05 14:05:25 +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
c92cae947f
[WIP] adapt the test of the low-level (pytrexio) API for sparse data
2021-12-24 11:51:06 +01:00
72897e4b5d
[WIP] read/write of sparse data in Python
2021-12-23 18:27:24 +01:00
6cf6121f50
fix pytrexio test
2021-11-02 10:30:35 +01:00
7459589701
adapt the tests to use basis_shell_num
2021-10-21 15:52:12 +02:00
64b3e25da5
fix Python tests for basis_nucleus_index
2021-10-19 10:43:00 +02:00
5756b5df33
upgrade major versions due to changes in basis and ECP formats
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needed to indicate that the backward copatibility will be broken
2021-10-19 10:24:44 +02:00
aadaf2db8d
better README
2021-10-07 14:06:56 +02:00
q-posev
01e4476c19
minor update for better Python builds
2021-10-01 10:48:13 +02:00
6262fd6e9f
pin numpy versions to avoid RuntimeError when importing trexio
2021-09-30 17:23:43 +02:00
Evgeny Posenitskiy
1ba0876d81
Merge pull request #60 from TREX-CoE/exit-code-for-open
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Return error code from trexio_open
2021-09-24 12:45:37 +02:00
b5d513ae36
update the latest commit of trexio-tutorials submodule
2021-09-24 10:05:07 +02:00
67b00efa9c
handle return error of trexio_open in the Python API
2021-09-22 16:40:55 +02:00
264faf9c74
adapt MANIFEST.in to the structure of examples directory
2021-09-14 10:51:36 +02:00
e9c376c83b
add trexio-tutorials repo as git submodule
2021-09-14 10:08:25 +02:00
8917cb747b
better README
2021-09-14 09:48:55 +02:00
71f4006987
better README + Binder badge
2021-09-13 17:21:34 +02:00
1589995775
do not use warnings for an attempt to overwrite in the Python API
2021-09-13 11:46:31 +02:00
2bd4ef9bfd
add has_ functions to the Python API
2021-09-13 11:29:00 +02:00
77e3f1ac11
print UserWarning instead of raising Error for an attempt to overwrite data
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following suggestion of Vijay G.C.
2021-09-12 14:24:50 +02:00
97f1d3b723
better documentation
2021-09-12 12:27:08 +02:00
ab3f56c023
remove jupyter from requirements.txt
2021-09-10 14:02:10 +02:00
q-posev
39c7587b5e
more portable setup of environment variables for install_pytrexio.sh
2021-09-10 13:36:51 +02:00
dcfe1da870
better documentation
2021-09-09 17:29:17 +02:00
569fac5578
move set_NUMPY_INCLUDEDIR into tools directory
2021-09-09 17:28:37 +02:00
b9c3ddb30e
FIX: bug related to import numpy in setup.py script
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use the custom NUMPY_INCLUDEDIR environment variable derived from a call to numpy.get_include
2021-09-09 15:09:26 +02:00
58b611e21b
add setuptools and jupyter to requirements.txt
2021-09-09 15:08:01 +02:00
09937c58c5
better README
2021-09-09 15:06:26 +02:00
a8d14f4c79
better README for python
2021-09-08 19:53:45 +02:00
04529823f6
add README file for the Python API
2021-09-08 19:34:16 +02:00
04a713590a
FIX bug due to the direct import of numpy in the setup script
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+ add more classifiers
2021-09-08 19:26:30 +02:00
f24a274c4d
add requirements file with packages needed for a proper setup
2021-09-07 17:32:23 +02:00
e72fbb4645
minor fixed in setup script to be compatible with Docker containers
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+ replaced dependency on h5py with numpy
2021-09-07 17:31:25 +02:00
96678fea2e
adapt write functions to receive multidimensional arrays or lists
2021-09-07 17:14:23 +02:00
ced8210ff0
BUG: trexio_open fails when test script is executed from outside the root test directory
2021-08-30 18:23:24 +03:00
ad44e29e95
fix bug with Python version import
2021-08-30 15:08:26 +03:00
cf51d3971f
read module version from _version.py file
2021-08-30 13:46:11 +03:00
b8aff45d3b
add notes on Python build and installation issues
2021-08-27 16:14:33 +03:00
5a2b4d96a7
reshape output arrays by default when reading from the file
2021-08-27 16:08:39 +03:00
7b5ebf6272
implement TREXIO File class and change import of pytrexio module
2021-08-26 17:01:53 +03:00
4c28a4cac8
add type converters for numerical arrays in read/write Python functions
2021-08-26 13:14:46 +03:00
2911e91941
make dim an optional argument in read_ functions
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if dim is None - the function read all necessary dimensions from the TREXIO file
2021-08-24 12:51:43 +03:00
1b05157316
get HDF5 compilation flags from pythonic pkgconfig
2021-08-24 11:48:46 +03:00
f30c6f60a6
document test_api file
2021-08-21 13:14:59 +03:00
8b22494f2f
LDFLAGS may contain several items and should be passed second
2021-08-20 16:31:22 +03:00
09823dd6a0
more portable build of the Python extension module with HDF5 paths propagated from configure script
2021-08-20 15:21:49 +03:00
5d5025ae1d
get rid of _safe suffix and add dimension to read_dset_str functions
2021-08-20 13:43:15 +03:00
8d8658fabf
minor cleaning + exception handling for an unsafe call to the safe API
2021-08-18 15:42:10 +03:00
902147b45b
better structure of the python directory
2021-08-18 15:40:42 +03:00
4ebd13b040
change pytrexio to trexio + comments on compatibility tags and editable installations
2021-08-18 13:46:16 +03:00
cb1e83ca57
adapt tests to check both pytrexio and trexio_api modules
2021-08-18 13:40:27 +03:00
31b14a891a
make trexio a Python package instead of a module to fix some installation issues
2021-08-18 13:26:57 +03:00
9f8b6838df
minor cleaning
2021-08-18 13:15:23 +03:00
808adc7cd8
add typemaps and tests for numpy int arrays
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+ some cleaning in the Python test and SWIG interface files
2021-08-06 14:04:29 +03:00
d0c19e0ce0
pytrexio build and pip install working
2021-08-05 17:55:34 +03:00
bb18a9c826
minor cleaning
2021-08-05 17:48:53 +03:00
12280e4219
more general MANIFEST.in
2021-08-05 17:48:23 +03:00
2854d617d4
make python directory and adapt build process
2021-08-05 12:55:18 +03:00
9a28b8d4bc
Revert "create python directory and add TODO objectives"
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This reverts commit 6ce91a6669
2021-08-04 12:07:27 +03:00
6ce91a6669
create python directory and add TODO objectives
2021-08-04 10:18:36 +03:00
