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467 Commits 8 Branches 40 Tags
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60 Commits

Author SHA1 Message Date
Maarten L. Hekkelman
5187ff7355 Add minimal components.cif 2026-04-14 11:50:24 +02:00
Maarten L. Hekkelman
f5a2566b5d Fix output and tests 2026-04-14 11:28:41 +02:00
Maarten L. Hekkelman
519c1d416e Support for new PDB ID's 2026-04-13 12:32:51 +02:00
Maarten L. Hekkelman
bdb9818a73 Let's try it another way 2026-01-31 14:22:09 +01:00
Maarten L. Hekkelman
977e34b092 Fix for testing python module on macOS 2026-01-27 13:31:38 +01:00
Maarten L. Hekkelman
9cc324c72d Fix makefile for tests 2026-01-27 12:56:28 +01:00
Maarten L. Hekkelman
171ca99ad3 Require boost 1.84 or higher for numpy 2 
Fix interface to be more compliant with standard concepts
 2026-01-27 11:39:55 +01:00
Maarten L. Hekkelman
371f17dd1b Updates for Debian repository, Version bump 2025-11-26 10:53:56 +01:00
Maarten L. Hekkelman
97f77d616c update github actions 2025-09-02 14:03:22 +02:00
Maarten L. Hekkelman
5d7a9e8ead using fixup 2025-08-19 12:42:43 +02:00
Maarten L. Hekkelman
f1b1c0de7d Update tests 2025-08-04 11:39:41 +02:00
Maarten L. Hekkelman
b4f86c0569 Reference info 2025-08-04 11:33:18 +02:00
Maarten L. Hekkelman
835418c181 using cpm 2025-06-04 16:13:59 +02:00
Maarten L. Hekkelman
c6eaf87d1e Trying to fix makefile 2025-05-16 12:41:12 +02:00
Maarten L. Hekkelman
c3e1522fab Fix testing python module on windows 2025-05-15 10:22:01 +02:00
Maarten L. Hekkelman
4bf838208a sigh 2025-05-14 20:43:53 +02:00
Maarten L. Hekkelman
dd626daf12 No python module on windows, yet 2025-05-14 20:36:58 +02:00
Maarten L. Hekkelman
b88c72b53c Update readme 2025-05-14 16:20:57 +02:00
Maarten L. Hekkelman
152b8f1018 Added unit test for python module 2025-05-14 16:08:19 +02:00
Maarten L. Hekkelman
0c320d82e2 fix dictionary location 2025-05-12 14:40:53 +02:00
Maarten L. Hekkelman
86efff8ada updates for audit_conform 2025-05-12 12:07:09 +02:00
Maarten L. Hekkelman
ec1ded8087 Version bump 2025-04-09 09:56:01 +02:00
Maarten L. Hekkelman
28dad5c0cc fix test makefile 2025-04-09 09:50:05 +02:00
Maarten L. Hekkelman
bb25e3a8e3 fix tests in clean environment 2025-04-09 09:43:40 +02:00
Maarten L. Hekkelman
6c69aca353 Merge branch 'develop' into trunk 2025-04-09 09:38:39 +02:00
Maarten L. Hekkelman
c57c39706f Fixes required for new libcifpp 8 2025-04-02 13:48:05 +02:00
Maarten L. Hekkelman
22aa1933d9 switch to catch2 v3 2025-02-05 16:45:36 +01:00
Maarten L. Hekkelman
aad70b9ea5 switch to catch2 v3 2025-02-05 16:43:30 +01:00
Maarten L. Hekkelman
79bf663fd1 switch to catch2 v3 2025-02-05 16:41:36 +01:00
Maarten L. Hekkelman
778d0ad54a catch this 2024-04-08 10:56:30 +02:00
Maarten L. Hekkelman
abd9fdfac9 fix makefile 2024-04-08 10:33:17 +02:00
Maarten L. Hekkelman
d9c0d286c5 Wrong data dir for test 2024-03-09 14:24:25 +01:00
Maarten L. Hekkelman
bd8e68d7d7 this should work on windows as well 2024-03-09 14:19:01 +01:00
Maarten L. Hekkelman
e1941a1b3a leave out last test and add first CI file 2024-03-09 11:02:37 +01:00
Maarten L. Hekkelman
25c90ab2b1 stand alone build with fetch content and new cifpp 2024-03-09 10:42:42 +01:00
Maarten L. Hekkelman
dd8a9c3cd1 refactored into a lib and an executable 2023-08-15 10:30:15 +02:00
Maarten L. Hekkelman
833a10f3f9 Fix unit test 
version bump
 2023-07-23 11:29:04 +02:00
Maarten L. Hekkelman
18a6336a9e Fixed unit tests 2023-06-21 14:24:00 +02:00
Maarten L. Hekkelman
056e4f8f7a rename item from range_1 to range_id_1 
Update dictionary extensions to reflect changes in output
 2023-06-19 09:58:15 +02:00
Maarten L. Hekkelman
fedc1c0e59 remove web server from main dssp code 
add annotation and writing to dssp library
 2023-06-12 17:13:28 +02:00
Maarten L. Hekkelman
db629fb228 Fix legacy output 2023-05-31 12:40:23 +02:00
Maarten L. Hekkelman
57494d98d7 building for ccp4 2023-01-25 17:04:06 +01:00
Maarten L. Hekkelman
4f9a659353 Fix in unit test 2022-11-23 16:29:52 +01:00
Maarten L. Hekkelman
edd88919a4 first steps 2022-11-22 15:42:19 +01:00
Maarten L. Hekkelman
e43b6b86ac DSSP as shared lib complete 2022-11-20 17:07:04 +01:00
Maarten L. Hekkelman
4f3ec42b9f update for meta project 2022-10-30 10:24:59 +01:00
Maarten L. Hekkelman
08de217b0d implemented operator[] 2022-10-24 10:53:21 +02:00
Maarten L. Hekkelman
5f4c8e4aac fixed dssp output 2022-08-24 15:24:59 +02:00
Maarten L. Hekkelman
fb35248a9d Fix unit-test 2022-08-17 15:00:56 +02:00
Maarten L. Hekkelman
e92eb4a728 rename unit-test 2022-08-17 14:57:52 +02:00