q-posev
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19adc9d811
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RM deprecated oldest-supported-numpy
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2024-06-27 17:02:07 +02:00 |
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Evgeny Posenitskiy
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92504e0bea
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First try macos-arm64 (#137)
* First try macos-arm64
* Test new macos-14 runner
* Update actions.yml
* Install libtool
* Install swig
* User install for python
* Update install_pytrexio.sh
* Update install_pytrexio.sh
* Update install_pytrexio.sh
* Update Makefile.am
* Update Makefile.am
* Update Makefile.am
* Update actions.yml
* Update actions.yml
* Update install_pytrexio.sh [skip ci]
* Update actions.yml
* Update Makefile.am
* Update actions.yml
* Setup venv in CI and not in the installation script
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2024-06-16 19:13:59 +02:00 |
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Evgeny Posenitskiy
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a0a5fea8f1
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Bump numpy reqs version
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2023-12-10 12:57:48 +01:00 |
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Evgeny Posenitskiy
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e2766d289d
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Switch to oldest-supported-numpy for numpy deps
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2023-12-10 12:53:37 +01:00 |
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Evgeny Posenitskiy
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db7f7366d9
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Fix CI
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2023-10-27 13:09:54 +02:00 |
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Evgeny Posenitskiy
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d9c7533d6c
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[wheel build] retire MacOS X86 and Python 3.6 builds
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2023-10-27 12:13:03 +02:00 |
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51afc129ab
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Changeed version to 2.4.2 in OCaml, Rust Python and CMake. Added version_memo.txt to remember changes ;-)
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2023-10-25 11:29:58 +02:00 |
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kousuke-nakano
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9f010f2ea0
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Update python/README.md
I have added a known issue and a workaround about `pip install trexio` on an ARM64 machine to python/README.md
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2023-09-15 12:02:25 +09:00 |
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81818a40ab
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Merge pull request #126 from TREX-CoE/text-fallback-python
Text fallback when building python API
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2023-06-08 17:03:36 +02:00 |
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6a8801bd9c
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Fix python-install
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2023-06-02 15:14:29 +02:00 |
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5e87794180
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Better search for hdf5 in python-install
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2023-06-02 14:53:54 +02:00 |
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q-posev
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ec9c234add
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Fix pip install from sdist tarball
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2023-05-25 18:53:35 +02:00 |
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q-posev
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472671190c
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Add config file for pytest
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2023-05-25 18:52:52 +02:00 |
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q-posev
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326686e44c
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Build and test Python API without HDF5 back end
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2023-05-25 18:20:56 +02:00 |
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a1ed253dc4
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Implemented index for scalar values
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2023-05-12 12:30:00 +02:00 |
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Evgeny Posenitskiy
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4d00c44e8e
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[wheel build] MacOS CI fix
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2023-05-05 16:44:07 +02:00 |
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b7577c5012
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[wheel build] Fix single-precision in float scalars
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2023-05-05 12:54:51 +02:00 |
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13567fceb8
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[wheel build] Set version number to 2.3.1 for fixing text backend in python
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2023-04-26 10:10:42 +02:00 |
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fbd44013db
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Bumd the minor version after the release
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2023-04-03 22:45:54 +02:00 |
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a385fa7010
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Cleaned also python
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2023-01-16 14:58:35 +01:00 |
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23b6c9008a
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Added Jastrow group and reorganize data
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2023-01-02 16:01:51 +01:00 |
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c98c4b4721
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Require numpy<1.23 for installation with Intel
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2022-12-26 12:28:48 +01:00 |
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bdf770d617
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Fix Python tests and static checker warnings
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2022-09-28 12:48:18 +02:00 |
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755e94afab
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Add tests for to_bitfield_list conversion
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2022-07-12 17:21:53 +02:00 |
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7b408aed2e
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Enforce C99 standard during pytrexio compilation
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2022-07-11 15:32:57 +02:00 |
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2d1a3da8bc
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Revert "Bump version of python interface"
This reverts commit 14d5a23c23.
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2022-07-04 17:03:55 +02:00 |
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14d5a23c23
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Bump version of python interface
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2022-07-04 16:00:08 +02:00 |
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405f19c4bc
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Adapt the tests
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2022-07-04 11:23:47 +02:00 |
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189f6de6a9
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Upgrade the minor versions after the release
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2022-06-03 11:37:02 +02:00 |
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3078f825e7
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Revert "Upgrade the minor version before the release"
This reverts commit 22531b47eb.
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2022-06-03 09:51:31 +02:00 |
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22531b47eb
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Upgrade the minor version before the release
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2022-06-03 09:49:15 +02:00 |
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d8cc5dc790
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Fixes for the Python API
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2022-06-03 09:46:23 +02:00 |
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q-posev
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53a408953d
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Update the wheels scripts and add benzene data
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2022-06-01 17:52:52 +02:00 |
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q-posev
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2876d73885
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Switch to pytest for unit testing
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2022-06-01 17:42:30 +02:00 |
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9186a9493f
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Adapt the tests to shifted MO indices
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2022-05-23 16:02:45 +02:00 |
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q-posev
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9bbfc34ee5
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Update unit tests to use get_int64_num
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2022-04-29 12:17:38 +02:00 |
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41c1bde0df
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Ignore warnings about unused (generated) variables
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2022-04-22 13:40:27 +02:00 |
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109f3ea41f
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Add tests for to_orbital_list_up_dn functions
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2022-04-22 13:18:29 +02:00 |
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7f16ade48f
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Add tests
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2022-04-15 15:21:20 +02:00 |
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q-posev
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3bc8a449db
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Add Python test for determinants
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2022-04-12 19:08:43 +02:00 |
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823372aa89
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Align Python API version with the upstream C
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2022-03-07 14:39:06 +01:00 |
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0e75cb42b5
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Add support for Python with statement
(see PEP 343 for more details)
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2022-03-07 14:12:31 +01:00 |
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246847b8d5
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Merge branch 'master' into add-auto-backend
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2022-01-25 16:24:34 +01:00 |
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d9309f5ab2
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modify some tests to use TREXIO_AUTO back end
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2022-01-25 15:00:55 +01:00 |
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8947f6caa7
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Merge branch 'master' into add-unsafe-open-mode
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2022-01-24 18:25:52 +01:00 |
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6ac4e0c761
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add tests for the unsafe mode in the Python API
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2022-01-24 16:29:40 +01:00 |
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5e82e0fc57
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add tests for trexio_info
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2022-01-20 14:22:32 +01:00 |
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2ce3f09c7f
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return --force-reinstall option to manual Python installation
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2022-01-19 14:09:28 +01:00 |
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e9db0c66d4
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add tests
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2022-01-19 14:08:38 +01:00 |
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e4073d0a8c
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add PyPI version badge to README
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2022-01-17 19:14:58 +01:00 |
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