38 Commits

Author	SHA1	Message	Date
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