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152 Commits

Author SHA1 Message Date
Sylvain Tricot 4b23806482 Specify gfortran executables for f2py3
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details
2021-07-21 23:06:41 +02:00
Sylvain Tricot df5c0de8b7 Fix bug, the rank was not set properly 2021-07-21 23:06:12 +02:00
Sylvain Tricot 391c4629a7 Split wx target to avoid compiling two times 2021-07-21 23:05:34 +02:00
Sylvain Tricot 0e04dd4a75 Remove config of logging in looper
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details 
Because it overriveded the global logging level...
 2021-07-21 10:45:34 +02:00
Sylvain Tricot 74f970e7dd Add pandas to the list
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details
2021-07-20 16:48:29 +02:00
Sylvain Tricot 3743cb8d17 Changed return values of Looper.run 
Instead of returning a panda dataframe, return both a list
of [x0, y0, x1, y1,...] values for all the calculations and the
corresponding dict of parameters
 2021-07-20 16:45:37 +02:00
Sylvain Tricot c2b9e9a572 Changed installation instructions. 2021-07-20 16:42:46 +02:00
Sylvain Tricot 7ebd1d25e2 Work on documentation:installation section
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details
2021-07-05 17:50:49 +02:00
Sylvain Tricot d520405a73 Concatenated the last RUN in a single one.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-07-02 18:21:10 +02:00
Sylvain Tricot ac3b0a2ad5 Remove coverage report page for the moment.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-06-30 17:08:43 +02:00
Sylvain Tricot c9f4236cb1 Remove tutorial pages for Les Houches
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
The index.rst has been renamed to index.rst.hidden to
hide the tutorials section from the website for les Houches school.
A warning message has been added at the top of the downlod section
to tell that this page is deprecated.
 2021-06-30 16:42:28 +02:00
Sylvain Tricot 36fdfd6f93 work on Jenkinsfile 2021-06-30 16:28:10 +02:00
Sylvain Tricot c9243362cd work on Jenkinsfile
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-06-30 16:18:47 +02:00
Sylvain Tricot 6a449eec75 work on Jenkinsfile
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2021-06-30 16:12:48 +02:00
Sylvain Tricot 72d932f1e9 work on Jenkinsfile
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-06-30 15:34:34 +02:00
Sylvain Tricot 2784227bd3 Added the build code target
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details
2021-06-30 15:31:55 +02:00
Sylvain Tricot a33a42e9db Fix bug in build doc target
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details 
There was no closing single quote
 2021-06-30 15:25:14 +02:00
Sylvain Tricot 16a550ee26 Changes the build doc target
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details
2021-06-30 15:21:29 +02:00
Sylvain Tricot de85a3f0c7 Merge branch 'devel' of https://git.ipr.univ-rennes1.fr/epsi/msspec_python3 into devel
epsi-builds/msspec_python3/pipeline/head There was a failure building this commit Details
2021-06-30 15:04:08 +02:00
Sylvain Tricot c3ab5d5a07 Add the build doc target in Jenkins 2021-06-30 15:02:54 +02:00
Sylvain Tricot 70f0433bf6 Small changes on DockerFile
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-06-30 12:44:06 +02:00
Sylvain Tricot 4ec4335431 Update Dockerfile so that it uses latest Python.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
Simplify the remaining of the file and make it buildable on Windows10
 2021-06-27 21:42:22 +02:00
Sylvain Tricot 1899020178 Small changes in looper.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-06-24 09:13:47 +02:00
Sylvain Tricot 605f3fda0e Increased the max number of atoms in phagen. 2021-06-24 09:12:25 +02:00
Sylvain Tricot 640746a81f cutoff_factor is now a public parameter.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-04-02 08:44:58 +02:00
sylvain tricot 195d5fd72f Add a module for multiprocessing.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-04-01 18:37:19 +02:00
Sylvain Tricot 94ce7648d4 Upgrade Phagen to 2.2 and 2.3 versions
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
Thos versions fix a bug in the routine that find zeros
of the wavefunction
 2021-03-22 08:39:48 +01:00
Sylvain Tricot 8129fdd8d1 Fix minor bug in clean target. 
The VERSION file could not be removed if it was not
found. Deletion is now forced with "-f" option.
 2021-03-22 08:36:26 +01:00
Sylvain Tricot 909b5dd7f3 Update gitignore.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
* Remove lines dealing with scons
* Add a tests/private folder to store local tests without showing
  files in git status
 2021-03-04 11:01:54 +01:00
sylvain tricot a3706d84be Update Makefile doc rule.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-02-23 10:26:22 +01:00
Sylvain Tricot 1e6e561ba2 Remove deprecated requirements files
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-02-22 20:28:57 +01:00
Sylvain Tricot 299518f194 Add rule to Makefile to build wxPython 2021-02-22 20:28:13 +01:00
Sylvain Tricot 979947a013 Fix bug in atom_types. 
The atom_types were not correctly set because the Potential
object instanciation was done after the cluster creation!
This is an issue.
 2021-02-22 20:22:58 +01:00
Sylvain Tricot a62f78f2a7 Fix use of deprecated MenuItem.GetText(). 
Replaced by MenuItem.GetItemLabelText()
 2021-02-22 19:02:31 +01:00
Sylvain Tricot 5d4e68a1a6 Change list formatting.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-02-22 15:55:04 +01:00
Sylvain Tricot 7a64213a32 Change list formatting.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-02-22 15:52:42 +01:00
Sylvain Tricot a4c13d3bdb Update the Readme file.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
I updated the information in the Readme file to provide
detailed steps to build msspec with GNU make.
 2021-02-22 15:49:57 +01:00
Sylvain Tricot ebb450024b Update msspec against its dependencies.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
MsSpec is now compatible with latest version of WX, of numpy,
scipy, matplotlib...
 2021-02-19 08:22:47 +01:00
Sylvain Tricot 4096a5f738 Merge branch 'devel' of vmgit.ipr.univ-rennes1.fr:epsi/msspec_python3 into devel
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-01-25 14:03:02 +01:00
Sylvain Tricot 052cf749cf Clusterviewer with WXWidgets is renamed 2021-01-25 14:01:34 +01:00
Sylvain Tricot f70b1af2f3 Continue with wx->gtk portage. 
Callbacks for mouse events are "almost" working
in this commit.
 2021-01-25 13:59:03 +01:00
sylvain tricot 7921f813c4 Add a Dockerfile.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-01-22 17:32:12 +01:00
sylvain tricot da92ce048f Fix file permissions in frontend install target. 2021-01-22 17:31:46 +01:00
sylvain tricot d7f004ebec Changes on Makefile to be compatible with Docker. 2021-01-22 17:03:53 +01:00
sylvain tricot 527ad80b03 Simplify pip.freeze requirements file.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-01-21 13:51:39 +01:00
sylvain tricot 72ba908be1 Improve python path and version checking.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
In the top Makefile, the Python path and version are first checked
before going any further. This is now done in a more cleaner way
by looking at the "sys.version_info variable"
 2021-01-21 11:12:24 +01:00
sylvain tricot 1db975233a Small changes to Makefiles.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-01-13 18:26:08 +01:00
Sylvain Tricot b8876a7632 Improved install and devel targets in Makefile.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2021-01-12 12:20:13 +01:00
Sylvain Tricot 19cd231b21 Begin portage of clusterviewer from Wx to Gtk3.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details 
For the moment changes are in the Python file named
clusterviewer_gi.py.
 2020-12-15 16:12:40 +01:00
Sylvain Tricot 8eaf76629d start porting the code from WX to GTK3.
epsi-builds/msspec_python3/pipeline/head This commit looks good Details
2020-12-08 21:29:30 +01:00