Sylvain Tricot
3743cb8d17
Changed return values of Looper.run
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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
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2021-07-05 17:50:49 +02:00
Sylvain Tricot
d520405a73
Concatenated the last RUN in a single one.
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2021-07-02 18:21:10 +02:00
Sylvain Tricot
ac3b0a2ad5
Remove coverage report page for the moment.
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2021-06-30 17:08:43 +02:00
Sylvain Tricot
c9f4236cb1
Remove tutorial pages for Les Houches
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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
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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
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2021-06-30 15:34:34 +02:00
Sylvain Tricot
2784227bd3
Added the build code target
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2021-06-30 15:31:55 +02:00
Sylvain Tricot
a33a42e9db
Fix bug in build doc target
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There was no closing single quote
2021-06-30 15:25:14 +02:00
Sylvain Tricot
16a550ee26
Changes the build doc target
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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
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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
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2021-06-30 12:44:06 +02:00
Sylvain Tricot
4ec4335431
Update Dockerfile so that it uses latest Python.
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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.
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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.
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2021-04-02 08:44:58 +02:00
sylvain tricot
195d5fd72f
Add a module for multiprocessing.
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2021-04-01 18:37:19 +02:00
Sylvain Tricot
94ce7648d4
Upgrade Phagen to 2.2 and 2.3 versions
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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.
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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.
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* 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.
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2021-02-23 10:26:22 +01:00
Sylvain Tricot
1e6e561ba2
Remove deprecated requirements files
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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.
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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().
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Replaced by MenuItem.GetItemLabelText()
2021-02-22 19:02:31 +01:00
Sylvain Tricot
5d4e68a1a6
Change list formatting.
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2021-02-22 15:55:04 +01:00
Sylvain Tricot
7a64213a32
Change list formatting.
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2021-02-22 15:52:42 +01:00
Sylvain Tricot
a4c13d3bdb
Update the Readme file.
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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.
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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
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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.
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Callbacks for mouse events are "almost" working
in this commit.
2021-01-25 13:59:03 +01:00
sylvain tricot
7921f813c4
Add a Dockerfile.
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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.
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2021-01-21 13:51:39 +01:00
sylvain tricot
72ba908be1
Improve python path and version checking.
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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.
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2021-01-13 18:26:08 +01:00
Sylvain Tricot
b8876a7632
Improved install and devel targets in Makefile.
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2021-01-12 12:20:13 +01:00
Sylvain Tricot
19cd231b21
Begin portage of clusterviewer from Wx to Gtk3.
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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.
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2020-12-08 21:29:30 +01:00
Sylvain Tricot
82c555dd27
Add a devel target to the Makefile.
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The "devel" target is used to install msspec in developpment mode,
ie along with a clone of the git repo.
2020-12-08 21:28:22 +01:00
Sylvain Tricot
d4ed926e55
Work on Makefiles to make install easier...
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2020-12-02 18:18:47 +01:00
Sylvain Tricot
3834f38aec
Add venv and sdist targets.
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2020-12-02 08:49:59 +01:00
Sylvain Tricot
e801582beb
Fix missing dependencies in EIG Makefiles
2020-12-02 08:49:06 +01:00
Sylvain Tricot
70eef0af8a
Trying to fix NaN for lmax > 30.
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epsi-builds/msspec_python3/pipeline/head This commit looks good
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It is impossible to compute the crosssection if LMAX > 30.
This is due to a lack of precision in the djmn.f subroutine which
is written in simple precision. This commit is a first step to promote
this subroutine and all its dependensices to doucle precision.
2020-12-01 11:13:24 +01:00