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1,306 Commits 16 Branches 9 Tags 86 MiB
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41 Commits

Author SHA1 Message Date
Anthony Scemama 8c5ec872ed CHange version 2024-04-10 16:38:10 +02:00
Anthony Scemama 5d8dfacffe Bump version to 0.5.4 2023-10-06 11:35:02 +02:00
Anthony Scemama 5118359099 Bump version 2023-09-26 17:37:17 +02:00
Anthony Scemama 6919e16f9a Update version to 0.5.2 2023-09-14 11:01:08 +02:00
Anthony Scemama d77dc26e52 Fix bugs for Python and Jastrow 2023-09-13 16:22:23 +02:00
Anthony Scemama 3db1765cdb Reduced OMP stack size 2023-09-13 13:23:16 +02:00
Anthony Scemama c176cd86c3 Update version in python 2023-08-31 18:13:37 +02:00
Evgeny Posenitskiy b288740292
Fix Python API build 2023-01-19 20:04:04 +01:00
Anthony Scemama 499178c3da Hide problemo print 2022-12-09 11:20:36 +01:00
q-posev e8c7a69c5a Add qmckl_adjugate_safe proxy function 2022-08-22 17:31:15 +02:00
q-posev 0d6a07705c Merge branch 'master' into add-python-api 2022-08-22 12:11:07 +02:00
q-posev 5a638d4697 Add typemaps for the qmckl_dgemm_safe 2022-08-22 12:06:06 +02:00
q-posev 0e8161ca1f Use the oldest-supported-numpy meta package 2022-08-22 10:13:01 +02:00
q-posev ada19167c7 Add macro for qmckl_last_error function 2022-08-18 19:22:52 +02:00
Anthony Scemama a2b4e515e8 Bump version to 0.3.1 2022-08-07 16:01:03 +02:00
Anthony Scemama 0d9b748701 Fixed python-test 2022-08-07 15:43:52 +02:00
Anthony Scemama 9711f2699c
Merge branch 'master' into add-python-api 2022-07-11 11:01:07 +02:00
Anthony Scemama ce1aeb324d Change point API to make it consistent for Python 2022-05-20 19:57:01 +02:00
q-posev fb43088c52 Handle output of ao_basis_type as a string 2022-05-05 10:04:46 +02:00
q-posev 6b81f7965c Fix naming issue 2022-05-04 17:32:43 +02:00
q-posev 0e3c325cce Fix compilation issues for non-standard prefix 2022-05-04 17:26:38 +02:00
Anthony Scemama 7651d19f22 Out of source build of python 2022-05-04 16:41:16 +02:00
q-posev c69513cdc5 Fix Makefile 2022-05-04 15:43:50 +02:00
q-posev de443ff30b Add CI for Python API 2022-05-04 15:14:16 +02:00
q-posev a733990fb4 Disable multi-threading via GIL 2022-05-04 15:07:41 +02:00
q-posev c9450bb1a7 Rename the imported functions and get rid of Python package for now 2022-05-04 15:06:37 +02:00
q-posev 04367c1824 More Python-ic error handling 2022-05-04 11:47:30 +02:00
q-posev abc7e8e11d Add exit codes to the Python API 2022-05-04 10:54:51 +02:00
q-posev 5bca219c1b Add dummy error handling on the SWIG side 2022-05-03 16:16:56 +02:00
q-posev 1be899d0c5 Add comments 2022-05-03 15:14:12 +02:00
q-posev a68b66e142 Separate installation and build scripts 2022-05-03 15:09:49 +02:00
q-posev 3b7b96d451 Read the version string from the _version.py file 2022-05-03 15:07:38 +02:00
q-posev a3b3323783 Local pip install works 2022-05-03 13:44:44 +02:00
q-posev a2f400fce0 Reorganize 2022-05-03 13:34:38 +02:00
q-posev 111af81a1d Ported bench_mos code to Python 2022-05-02 17:52:11 +02:00
q-posev b8c12c4bc7 Remove generated file from Git 2022-05-02 17:51:41 +02:00
q-posev 3fa5f9a34b [WIP] Add tests 2022-05-02 16:46:34 +02:00
q-posev ec98c3f19f Handle some strings 2022-05-02 16:36:34 +02:00
q-posev b34532d7d9 Comment debug prints 2022-05-02 16:36:22 +02:00
q-posev faecae6aa8 First working prototype (manual installation) 2022-05-02 16:14:18 +02:00
q-posev 036fcc6fda First commit 2022-05-02 13:39:22 +02:00