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mirror of https://github.com/TREX-CoE/trexio.git synced 2024-12-23 12:56:53 +01:00
Commit Graph

15 Commits

Author SHA1 Message Date
23b6c9008a Added Jastrow group and reorganize data 2023-01-02 16:01:51 +01:00
c98c4b4721 Require numpy<1.23 for installation with Intel 2022-12-26 12:28:48 +01:00
q-posev
2876d73885 Switch to pytest for unit testing 2022-06-01 17:42:30 +02:00
2ce3f09c7f return --force-reinstall option to manual Python installation 2022-01-19 14:09:28 +01:00
Evgeny Posenitskiy
dcb976010f
Automate build and upload of CPython wheels (#72)
* 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
q-posev
01e4476c19 minor update for better Python builds 2021-10-01 10:48:13 +02:00
97f1d3b723 better documentation 2021-09-12 12:27:08 +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
f24a274c4d add requirements file with packages needed for a proper setup 2021-09-07 17:32:23 +02:00
ad44e29e95 fix bug with Python version import 2021-08-30 15:08:26 +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
4ebd13b040 change pytrexio to trexio + comments on compatibility tags and editable installations 2021-08-18 13:46:16 +03:00
d0c19e0ce0 pytrexio build and pip install working 2021-08-05 17:55:34 +03:00