Thomas Applencourt
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b97e337f4b
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Refortorisation of update_readme
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2015-07-28 16:45:45 +02:00 |
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37599336b0
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Corrected graphviz bug
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2015-07-28 15:55:13 +02:00 |
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Thomas Applencourt
|
5e98b8c2ae
|
Beter separation in development mode and production one
|
2015-07-28 10:23:17 +02:00 |
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Thomas Applencourt
|
d36d9e3177
|
Add beter instruction for readme
|
2015-07-28 10:03:14 +02:00 |
|
Thomas Applencourt
|
e9898c4fa1
|
Merge branch 'develop'
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2015-07-28 09:48:11 +02:00 |
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Thomas Applencourt
|
97df8d1922
|
Fix graphiz
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2015-07-28 09:46:38 +02:00 |
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e39afd6c2c
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Corrected bug with missing README files
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2015-07-25 00:26:00 +02:00 |
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ce86b932ca
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Spelling in comments
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2015-07-25 00:18:19 +02:00 |
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c6e67d0df7
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Merge OK
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2015-07-24 11:48:56 +02:00 |
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95cf564898
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Lowercase in ocaml
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2015-07-24 11:23:54 +02:00 |
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Manu
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83c8b0c3f8
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Merge branch 'master' of github.com:eginer/quantum_package
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2015-07-20 14:39:58 +02:00 |
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Thomas Applencourt
|
997d0aebbd
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Beter message when installing
|
2015-07-16 17:45:42 +02:00 |
|
Thomas Applencourt
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b8152bb47a
|
Add builddir for more amazingness
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2015-07-16 17:36:38 +02:00 |
|
Thomas Applencourt
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99444757b1
|
Epic merge for the doc...
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2015-07-16 15:44:51 +02:00 |
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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
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Clean
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2015-07-16 11:39:52 +02:00 |
|
Thomas Applencourt
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c7c9243c21
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Fix README and graphiz
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2015-07-16 10:40:57 +02:00 |
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Thomas Applencourt
|
21d5f63841
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Add dot_parser.py
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2015-07-16 08:59:43 +02:00 |
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Manu
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a08101a3b7
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Pull ok
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2015-07-15 14:04:56 +02:00 |
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Manu
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69250d7a2e
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Minor modiffs
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2015-07-15 14:01:06 +02:00 |
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Thomas Applencourt
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447b3b3523
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Merge pull request #95 from TApplencourt/master
New travis
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2015-07-15 13:25:46 +02:00 |
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Thomas Applencourt
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5bfc28b1f7
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When uninstall module cleaning fist
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2015-07-15 11:00:23 +02:00 |
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b6d8531583
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Accelerated S^2
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2015-07-14 01:06:28 +02:00 |
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Thomas Applencourt
|
63055bbbce
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Beter doc
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2015-07-06 14:18:11 +02:00 |
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58ada7058f
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Sort gitignore to avoid stupid conflicts
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2015-07-04 00:11:06 +02:00 |
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Thomas Applencourt
|
cccc90ea1e
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Re add EZFIO_file/README.rst
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2015-07-03 15:40:25 +02:00 |
|
Thomas Applencourt
|
23f03e252e
|
Fix #92
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2015-07-03 15:07:24 +02:00 |
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Thomas Applencourt
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85c6ed2d12
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Fix doc never remake
|
2015-07-03 13:37:10 +02:00 |
|
Thomas Applencourt
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a94d3e0e95
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AO provider
|
2015-07-02 16:52:34 +02:00 |
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Thomas Applencourt
|
30dcb63621
|
Move aos_ezfio.confing into EZFIO.cfg
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2015-07-02 15:55:57 +02:00 |
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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
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2015-07-02 09:40:21 +02:00 |
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Thomas Applencourt
|
9a1f83d1b8
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Simplify qp_create_ninja and beter debug in module_handler
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2015-06-30 10:34:28 +02:00 |
|
Thomas Applencourt
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22c5bea198
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Fix cleaning module bug
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2015-06-30 10:10:38 +02:00 |
|
Emmanuel Giner
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b2617ea7fd
|
Merge pull request #1 from LCPQ/master
Update before merge
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2015-06-29 11:19:39 +02:00 |
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Manu
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89f5d5db44
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fixed bug in generate_h_apply.py for the select_max(i_generators)
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2015-06-29 11:13:00 +02:00 |
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Manu
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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
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Fix bug for character*(68)
|
2015-06-24 17:23:49 +02:00 |
|
Thomas Applencourt
|
17526b3d53
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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 |
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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 |
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9d3d9f45b9
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qp_install uninstall
|
2015-06-22 10:37:17 +02:00 |
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b0515ac93e
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qp_root tmp directory
|
2015-06-22 10:22:00 +02:00 |
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8d5cb6dcad
|
Error message
|
2015-06-22 10:04:22 +02:00 |
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01aeaffaf1
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Merge branch 'master' of github.com:scemama/quantum_package
Conflicts:
scripts/compilation/qp_create_ninja.py
|
2015-06-22 09:43:48 +02:00 |
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9548cf14d4
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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
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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 |
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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 |
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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 |
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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 |
|
Thomas Applencourt
|
58b683ea81
|
Fix import
|
2015-06-04 17:37:43 +02:00 |
|
Thomas Applencourt
|
62ef20c607
|
Cleaning but qp_ninja is now long...
|
2015-06-04 17:01:50 +02:00 |
|
Thomas Applencourt
|
2ecacdd18e
|
Realy fix the readme... Maybe to mush
|
2015-06-04 12:15:54 +02:00 |
|
Thomas Applencourt
|
30df5835a1
|
update_readme.py and so one
|
2015-06-04 12:09:28 +02:00 |
|
Thomas Applencourt
|
81ca7f2545
|
Remove ASSUMPTIONS.rst. Put it direcly in README.rst
|
2015-06-04 11:17:01 +02:00 |
|
Thomas Applencourt
|
42dde7faca
|
Be agile, remove not usefull script
|
2015-06-04 11:10:32 +02:00 |
|
Thomas Applencourt
|
8416742bb0
|
Fix log always print
|
2015-06-04 10:57:50 +02:00 |
|
Thomas Applencourt
|
62595e5f25
|
Remove NEEDCHILDREN,inlcude and lib dir And move unit_test
|
2015-06-04 10:53:43 +02:00 |
|
Thomas Applencourt
|
be114d1d88
|
BYE BYE MAKEFILE ninja !
|
2015-06-03 17:52:41 +02:00 |
|
Thomas Applencourt
|
c63cbab3ee
|
Fix include
|
2015-06-03 15:32:43 +02:00 |
|
Thomas Applencourt
|
e99034d3f9
|
Try to merge...
|
2015-06-03 14:03:11 +02:00 |
|
Thomas Applencourt
|
5812341787
|
Add ninja suport in gfortran config file
|
2015-06-03 10:51:32 +02:00 |
|
Thomas Applencourt
|
9b59b8afc2
|
Fix bug in replacent 'file' => 'f'
|
2015-06-03 10:19:02 +02:00 |
|
Thomas Applencourt
|
c777891ef5
|
Pep8
|
2015-06-02 18:40:24 +02:00 |
|
Thomas Applencourt
|
8bf723dcfc
|
Mega cleaning.
|
2015-06-02 18:17:59 +02:00 |
|
Thomas Applencourt
|
7396f2985f
|
Modify some file
|
2015-06-02 15:47:24 +02:00 |
|
Thomas Applencourt
|
d3ce9c882a
|
Cleaning create_ninja
|
2015-06-02 15:46:01 +02:00 |
|
Thomas Applencourt
|
cc9d710066
|
Add option to module_handler for print the header module
|
2015-06-01 19:32:02 +02:00 |
|
|
e7c1d713e8
|
Added install_ninja.sh
|
2015-05-28 13:25:16 +02:00 |
|
Thomas Applencourt
|
5f0883c05c
|
Fix cache_compile.py and ninja make all the binary
|
2015-05-28 12:03:14 +02:00 |
|
|
0267780a19
|
Compiles with IRPF90/ninja
|
2015-05-28 01:22:02 +02:00 |
|
Thomas Applencourt
|
a48f089990
|
Better config_gfortran
|
2015-05-27 17:50:51 +02:00 |
|
Thomas Applencourt
|
ba49beff36
|
Remove makefile.depend dependancy !
|
2015-05-27 11:02:13 +02:00 |
|
|
1e12737e0e
|
Changed pseudo_ao in EZFIO
|
2015-05-26 21:37:17 +02:00 |
|
Thomas Applencourt
|
af1acde61f
|
Add Update_readme to ninja
|
2015-05-26 17:43:43 +02:00 |
|
Thomas Applencourt
|
229053d011
|
Try to fix travis again...
|
2015-05-26 17:24:07 +02:00 |
|
Thomas Applencourt
|
f6b8964719
|
Compile all
|
2015-05-26 16:37:14 +02:00 |
|
Thomas Applencourt
|
dff2d2f8fa
|
Fix for travis (add Read_compilation)
|
2015-05-26 16:09:09 +02:00 |
|
Thomas Applencourt
|
4acab896be
|
Remove phony for l_irp
|
2015-05-26 13:35:34 +02:00 |
|
Thomas Applencourt
|
1cce664e5f
|
Remove check_call for python 2.6 suport...
|
2015-05-26 11:39:39 +02:00 |
|
Thomas Applencourt
|
9746c6df28
|
Add ninja instaler, First try travis
|
2015-05-26 10:42:21 +02:00 |
|
Thomas Applencourt
|
7f6a006881
|
Fix issue when needed module is empty and beter rule for ocaml
|
2015-05-26 10:13:27 +02:00 |
|
Thomas Applencourt
|
47b8ca4873
|
Ninja work now /tmp/ninja/ninja -v -d explain build_all_binary!
|
2015-05-25 18:40:20 +02:00 |
|
Thomas Applencourt
|
091708c16b
|
Cleanging cache_compile.py
|
2015-05-21 13:38:46 +02:00 |
|
Thomas Applencourt
|
c392599f84
|
Still working on ninja
|
2015-05-21 11:30:15 +02:00 |
|
|
e50e967018
|
Added Davidson in MRCC
|
2015-05-21 10:15:13 +02:00 |
|
Thomas Applencourt
|
b91e0048df
|
Add cache for the fortran
|
2015-05-20 16:01:41 +02:00 |
|
Thomas Applencourt
|
de5a05377a
|
Add ninja.build generator
|
2015-05-18 12:12:44 +02:00 |
|
Thomas Applencourt
|
538dfff980
|
New Working (maybe?) makefile
|
2015-05-15 16:30:43 +02:00 |
|
|
7c0fd00c1f
|
Added module DensityFit
|
2015-05-13 22:53:26 +02:00 |
|
Thomas Applencourt
|
6e182577e3
|
Cleaning makefile
|
2015-05-13 18:15:01 +02:00 |
|
Thomas Applencourt
|
65574036cd
|
Move some file to be logic
|
2015-05-13 15:59:06 +02:00 |
|
Thomas Applencourt
|
f738d273d5
|
Now Makefile.depend is handlbe by ... module_handler !
|
2015-05-13 15:33:38 +02:00 |
|
Thomas Applencourt
|
9131c261f1
|
rename run_Makefile_global.sh => check_src.sh
|
2015-05-13 11:18:11 +02:00 |
|
Thomas Applencourt
|
5e841bcf5c
|
Remove run_test.py
|
2015-05-13 10:57:46 +02:00 |
|
Thomas Applencourt
|
d2fdcff2b4
|
Remove follow_output.py
|
2015-05-13 10:56:42 +02:00 |
|
Thomas Applencourt
|
fd7e294015
|
Remove ezfio_with_default.py
|
2015-05-13 10:56:28 +02:00 |
|
Thomas Applencourt
|
93b4d0c1bf
|
Update qp_convert_ezfio
|
2015-05-12 11:32:20 +02:00 |
|
Thomas Applencourt
|
f628bdee18
|
Rename MonoInts into Integrals_Monoelec
|
2015-05-12 11:05:07 +02:00 |
|
Thomas Applencourt
|
1a634b4ed2
|
Change image name, add image in README.rst, and add Graphviz in dependancy
|
2015-05-12 10:39:49 +02:00 |
|
Thomas Applencourt
|
5777753d6b
|
Add all.png to git
|
2015-05-12 10:05:20 +02:00 |
|
|
e438d8582b
|
Removed Output module
|
2015-05-11 19:41:56 +02:00 |
|
|
0c9d9b50dd
|
Move do_pseudo
|
2015-05-11 15:50:39 +02:00 |
|
Thomas Applencourt
|
4a45182ff7
|
Put pseudo in pseudo and add suport for SIZE un ezfio.cfg
|
2015-05-11 14:40:55 +02:00 |
|
Thomas Applencourt
|
8dc7ea8481
|
Touch EZFIO.cfg and ezfio.config when make veryclean for forcing the recompilation of the EZFIO
|
2015-05-05 11:31:05 +02:00 |
|
Thomas Applencourt
|
7ccfee69a5
|
Add qp_utils.py for cache decorator, remove pickl in ei_handler.py
|
2015-05-05 11:05:27 +02:00 |
|
|
8fab38fcc0
|
InteRgrals corrected
|
2015-05-04 20:19:59 +02:00 |
|