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Code Issues Releases Wiki Activity
1,395 Commits 6 Branches 5 Tags 93 MiB
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424 Commits

Author SHA1 Message Date
Anthony Scemama
8731ba6748 Error in bash script 2015-09-22 09:07:34 +02:00
Anthony Scemama
a55b3cb651 Merged with Manu MRCC 2015-09-08 16:37:46 +02:00
Anthony Scemama
8671e53615 Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master 
Conflicts:
	plugins/CISD/README.rst
	plugins/CISD_SC2_selected/README.rst
	plugins/CISD_selected/README.rst
	plugins/DDCI_selected/README.rst
	plugins/MRCC_CASSD/.gitignore
	src/Determinants/davidson.irp.f
	src/Determinants/slater_rules.irp.f
	src/Ezfio_files/README.rst
 2015-07-28 18:36:50 +02:00
Thomas Applencourt
006c28f4ee Fix error in doc path 2015-07-28 17:31:54 +02:00
Thomas Applencourt
1c35435ea6 Fixing doc in double 2015-07-28 17:18:45 +02:00
Thomas Applencourt
97c0dcf40b Fix qp_install_module 2015-07-28 17:02:00 +02:00
Thomas Applencourt
3d702eff52 Remove global variable 2015-07-28 16:47:29 +02:00
Thomas Applencourt
b97e337f4b Refortorisation of update_readme 2015-07-28 16:45:45 +02:00
Anthony Scemama
37599336b0 Corrected graphviz bug 2015-07-28 15:55:13 +02:00
Thomas Applencourt
5e98b8c2ae Beter separation in development mode and production one 2015-07-28 10:23:17 +02:00
Thomas Applencourt
d36d9e3177 Add beter instruction for readme 2015-07-28 10:03:14 +02:00
Thomas Applencourt
e9898c4fa1 Merge branch 'develop' 2015-07-28 09:48:11 +02:00
Thomas Applencourt
97df8d1922 Fix graphiz 2015-07-28 09:46:38 +02:00
Anthony Scemama
e39afd6c2c Corrected bug with missing README files 2015-07-25 00:26:00 +02:00
Anthony Scemama
ce86b932ca Spelling in comments 2015-07-25 00:18:19 +02:00
Anthony Scemama
c6e67d0df7 Merge OK 2015-07-24 11:48:56 +02:00
Anthony Scemama
95cf564898 Lowercase in ocaml 2015-07-24 11:23:54 +02:00
Manu
83c8b0c3f8 Merge branch 'master' of github.com:eginer/quantum_package 2015-07-20 14:39:58 +02:00
Thomas Applencourt
997d0aebbd Beter message when installing 2015-07-16 17:45:42 +02:00
Thomas Applencourt
b8152bb47a Add builddir for more amazingness 2015-07-16 17:36:38 +02:00
Thomas Applencourt
99444757b1 Epic merge for the doc... 2015-07-16 15:44:51 +02:00
Thomas Applencourt
d067773d3a Fix coherency 2015-07-16 15:20:31 +02:00
Thomas Applencourt
8eac20aa2e Beter uninstalation 2015-07-16 14:41:39 +02:00
Thomas Applencourt
e195685c4b Going back to png 2015-07-16 14:25:20 +02:00
Thomas Applencourt
aa2166bf1e Beter error handler 2015-07-16 12:15:07 +02:00
Thomas Applencourt
b9215aad50 Clean 2015-07-16 11:39:52 +02:00
Thomas Applencourt
c7c9243c21 Fix README and graphiz 2015-07-16 10:40:57 +02:00
Thomas Applencourt
21d5f63841 Add dot_parser.py 2015-07-16 08:59:43 +02:00
Manu
a08101a3b7 Pull ok 2015-07-15 14:04:56 +02:00
Manu
69250d7a2e Minor modiffs 2015-07-15 14:01:06 +02:00
Thomas Applencourt
447b3b3523 Merge pull request #95 from TApplencourt/master 
New travis
 2015-07-15 13:25:46 +02:00
Thomas Applencourt
5bfc28b1f7 When uninstall module cleaning fist 2015-07-15 11:00:23 +02:00
Anthony Scemama
b6d8531583 Accelerated S^2 2015-07-14 01:06:28 +02:00
Thomas Applencourt
63055bbbce Beter doc 2015-07-06 14:18:11 +02:00
Anthony Scemama
58ada7058f Sort gitignore to avoid stupid conflicts 2015-07-04 00:11:06 +02:00
Thomas Applencourt
cccc90ea1e Re add EZFIO_file/README.rst 2015-07-03 15:40:25 +02:00
Thomas Applencourt
23f03e252e Fix #92 2015-07-03 15:07:24 +02:00
Thomas Applencourt
85c6ed2d12 Fix doc never remake 2015-07-03 13:37:10 +02:00
Thomas Applencourt
a94d3e0e95 AO provider 2015-07-02 16:52:34 +02:00
Thomas Applencourt
30dcb63621 Move aos_ezfio.confing into EZFIO.cfg 2015-07-02 15:55:57 +02:00
Thomas Applencourt
a67fd36524 Add Casino module 2015-07-02 09:55:41 +02:00
Thomas Applencourt
7553b0877c Remove the raise, for only show the 'source message' / cleaning configure 2015-07-02 09:40:21 +02:00
Thomas Applencourt
9a1f83d1b8 Simplify qp_create_ninja and beter debug in module_handler 2015-06-30 10:34:28 +02:00
Thomas Applencourt
22c5bea198 Fix cleaning module bug 2015-06-30 10:10:38 +02:00
Emmanuel Giner
b2617ea7fd Merge pull request #1 from LCPQ/master 
Update before merge
 2015-06-29 11:19:39 +02:00
Manu
89f5d5db44 fixed bug in generate_h_apply.py for the select_max(i_generators) 2015-06-29 11:13:00 +02:00
Manu
ee81a80368 Beginning the merge with qp old 2015-06-29 10:35:29 +02:00
Thomas Applencourt
39aca82195 Modify gitignore 2015-06-25 16:52:08 +02:00
Thomas Applencourt
bc6784c92a Orthograph in qp_install 2015-06-25 10:22:19 +02:00
Thomas Applencourt
fb1114b84d Fix bug for character*(68) 2015-06-24 17:23:49 +02:00
Thomas Applencourt
17526b3d53 Fix tag in readme 2015-06-24 12:25:19 +02:00
Thomas Applencourt
6cf02c1616 Cleaning qp_ninja 2015-06-24 11:38:33 +02:00
Thomas Applencourt
95c7861cbc Fix #82 2015-06-24 11:34:03 +02:00
Thomas Applencourt
4205e42820 Fix maj tree 2015-06-24 10:51:49 +02:00
Thomas Applencourt
ac37c2dab8 Workaround for IRP bug 2015-06-24 09:02:22 +02:00
Thomas Applencourt
82d74710bd Cleaning module_handler 2015-06-23 18:46:09 +02:00
Thomas Applencourt
8accde8b19 Cleaning module_handler 2015-06-23 18:43:56 +02:00
Thomas Applencourt
b3676c43d0 OK 2015-06-23 14:19:54 +02:00
Thomas Applencourt
45054db18e Remove ezfio_config 2015-06-23 14:07:03 +02:00
Thomas Applencourt
a0407bf89f And remove ancestor 2015-06-23 10:04:59 +02:00
Anthony Scemama
9d3d9f45b9 qp_install uninstall 2015-06-22 10:37:17 +02:00
Anthony Scemama
b0515ac93e qp_root tmp directory 2015-06-22 10:22:00 +02:00
Anthony Scemama
8d5cb6dcad Error message 2015-06-22 10:04:22 +02:00
Anthony Scemama
01aeaffaf1 Merge branch 'master' of github.com:scemama/quantum_package 
Conflicts:
	scripts/compilation/qp_create_ninja.py
 2015-06-22 09:43:48 +02:00
Anthony Scemama
9548cf14d4 Work on QMC=Chem interface 2015-06-21 23:08:18 +02:00
Thomas Applencourt
5d5c93ff78 Try Travis cache 2015-06-19 19:13:35 +02:00
Thomas Applencourt
a07312b077 Update doc 2015-06-19 18:58:36 +02:00
Thomas Applencourt
c6128f7a22 Fix ei_handler ocaml_global 2015-06-19 10:32:19 +02:00
Thomas Applencourt
93eafd009d Update the EZFIO.cfg with the new keyword 2015-06-18 15:04:44 +02:00
Thomas Applencourt
40b949f47a Cleaning the test 2015-06-18 12:08:28 +02:00
Thomas Applencourt
1b3a15c794 Fix create_exetuables to flow symlink 2015-06-18 11:20:52 +02:00
Thomas Applencourt
abbcb3195a Change global variable 2015-06-18 11:11:14 +02:00
Thomas Applencourt
4eb38cf1e5 Add qp_path.py and change module_handler acordingly 2015-06-18 10:21:37 +02:00
Thomas Applencourt
dbbe9da571 First travis module 2015-06-17 19:00:31 +02:00
Thomas Applencourt
a0fada5676 Add suport of symlink in src 2015-06-17 18:16:14 +02:00
Anthony Scemama
96a16cc46e Little changes 2015-06-11 16:25:35 +02:00
Thomas Applencourt
723566193b Creating ninja global everytime 2015-06-11 16:03:05 +02:00
Thomas Applencourt
b99679041e Cleaning compile.py 2015-06-11 15:47:27 +02:00
Thomas Applencourt
fbed320e83 Working ninja 2015-06-10 18:16:29 +02:00
Thomas Applencourt
c63f2117cf We can ninja in a module now 2015-06-10 15:46:04 +02:00
Thomas Applencourt
b29219aa69 Fix typo 2015-06-10 13:46:53 +02:00
Thomas Applencourt
94f84eabe8 Fix qp_create_ninja 2015-06-10 13:29:11 +02:00
Thomas Applencourt
137974a31f Merge pull request #18 from LCPQ/master 
merge 2
 2015-06-10 12:33:49 +02:00
Anthony Scemama
53c50f572d build.ninja back in IRPF90_temp 2015-06-10 12:26:16 +02:00
Thomas Applencourt
3480ba8b19 Beter ninja 2015-06-10 10:51:29 +02:00
Thomas Applencourt
e11998adcf It will be not that hard to implement module repositories 2015-06-09 19:20:18 +02:00
Thomas Applencourt
8c5c1069e0 No we can set the root for the dict of dependancy 2015-06-09 16:34:52 +02:00
Thomas Applencourt
af34292086 module_handler is now a module object not a class 2015-06-09 16:06:30 +02:00
Thomas Applencourt
4e707c1362 Type in module_handler.py 2015-06-09 15:08:06 +02:00
Thomas Applencourt
47788a2341 Remove useless updrage_programe 2015-06-09 15:05:06 +02:00
Thomas Applencourt
ba06580028 Fix put_pseudo.py 2015-06-08 22:50:02 +02:00
Thomas Applencourt
2dbd82d2b6 Fix getbasis 2015-06-08 22:17:40 +02:00
Thomas Applencourt
e6e78a521c installation zlib OK 2015-06-08 20:46:36 +02:00
Thomas Applencourt
e0f360084e QPACKAGE_ROOT => QP_ROOT =D 2015-06-08 14:49:10 +02:00
Thomas Applencourt
f26f761b0b New setup v2 2015-06-08 12:35:40 +02:00
Thomas Applencourt
430b2ed597 Fix path for .F 2015-06-06 10:44:04 +02:00
Thomas Applencourt
4fedc72749 First try of new setup 2015-06-05 22:33:19 +02:00
Thomas Applencourt
b60c7c757d Add generator for the png tree 2015-06-05 09:56:05 +02:00
Thomas Applencourt
0e6e008b23 Add doc 2015-06-05 09:50:24 +02:00
Thomas Applencourt
bfde4f47c9 Fix cache import 2015-06-04 18:01:03 +02:00