MDANSE merge requestshttps://code.ill.fr/scientific-software/mdanse/-/merge_requests2018-06-04T14:21:00+02:00https://code.ill.fr/scientific-software/mdanse/-/merge_requests/8Feature functional tests enhancing2018-06-04T14:21:00+02:00Remi PerenonFeature functional tests enhancing* ADDED (internal) reference data files integrated in functional tests
* CHANGED (internal) build test and deploy scripts* ADDED (internal) reference data files integrated in functional tests
* CHANGED (internal) build test and deploy scriptsCompatibility with ubuntu 16.04 and build on new 2018 machineseric pellegrinieric pellegrinihttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/64Feature smart association in lammps converter2020-11-12T12:32:29+01:00Remi PerenonFeature smart association in lammps converterSee issue #59See issue #59Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/63Bugfix lammps converter issues2020-10-07T15:05:13+02:00Remi PerenonBugfix lammps converter issues* See Issue #58
* CHANGED LAMMPS converter accepts now "0" as the number of steps (=> automatic detection of the steps number)
* CHANGED Defautl mass tolerance in LAMMPS converter in now 10^-3 instead of 10^-5* See Issue #58
* CHANGED LAMMPS converter accepts now "0" as the number of steps (=> automatic detection of the steps number)
* CHANGED Defautl mass tolerance in LAMMPS converter in now 10^-3 instead of 10^-5Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/62Build macos bundle does not use embedded python2020-07-09T08:14:28+02:00Remi PerenonBuild macos bundle does not use embedded pythonSee issue #57See issue #57Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/61Bugfix plotter issues2020-04-06T11:51:28+02:00Remi PerenonBugfix plotter issuesSee issue #55See issue #55Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/60Bugfix main panel layout2020-04-04T11:00:40+02:00Remi PerenonBugfix main panel layoutSee issue #56See issue #56Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/59Bugfix cannot open some gromacs trajectories2020-03-30T11:32:17+02:00Remi PerenonBugfix cannot open some gromacs trajectoriesSee issue #54See issue #54Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/58Bugfix vasp npt trajectory2020-03-28T22:45:20+01:00Remi PerenonBugfix vasp npt trajectorySee issue #53See issue #53Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/56Bugfix qvector circular lattice generator bug2020-03-28T12:36:46+01:00Remi PerenonBugfix qvector circular lattice generator bugSee issue #52See issue #52Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/55Bugfix inconsistent results when using multiple atom selections2020-02-27T16:04:48+01:00Remi PerenonBugfix inconsistent results when using multiple atom selectionsSee issue #50See issue #50Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/54Bugfix sffsf is accessible from mmtk traj2020-02-27T15:11:47+01:00Remi PerenonBugfix sffsf is accessible from mmtk trajSee issue #51See issue #51Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/53Bugfix ndtsf error2020-02-27T14:00:59+01:00Remi PerenonBugfix ndtsf errorSee issue #48See issue #48Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/52Bugfix issue when opening lammps trajectory2020-02-27T11:58:04+01:00Remi PerenonBugfix issue when opening lammps trajectorySee issue #49See issue #49Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/51Build fixing macos deploy issue feb 20202020-02-27T16:14:46+01:00Remi PerenonBuild fixing macos deploy issue feb 2020macOS build has been changed:
- macOS server has been updated to macOS Catalina (10.15)
- py2app is no more functional, so we package manually MDANSE with local "pre-bundle"
- deploy stage has been cleanedmacOS build has been changed:
- macOS server has been updated to macOS Catalina (10.15)
- py2app is no more functional, so we package manually MDANSE with local "pre-bundle"
- deploy stage has been cleanedRemi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/50Build solving docker issues2020-02-26T16:45:42+01:00Remi PerenonBuild solving docker issuesDocker build has been changed:
- Docker does not use login anymore. Images are stored on the build server machine.
- Docker scripts has been simplified
- Cache is no more used for build and deploy stages
Additionally, we use Gitlab envi...Docker build has been changed:
- Docker does not use login anymore. Images are stored on the build server machine.
- Docker scripts has been simplified
- Cache is no more used for build and deploy stages
Additionally, we use Gitlab environment variables to set commit number and branch name (on Linux, Windows and macOS)Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/49Bugfix converter plugin does not close2020-02-17T12:05:50+01:00Remi PerenonBugfix converter plugin does not closeSee issue #47See issue #47Remi PerenonRemi Perenonhttps://code.ill.fr/scientific-software/mdanse/-/merge_requests/48Hotfix error when closing gui2019-05-21T10:39:56+02:00Remi PerenonHotfix error when closing guiSee issue #46See issue #46https://code.ill.fr/scientific-software/mdanse/-/merge_requests/47Bugfix interface freezes when job is launched2019-02-07T16:18:03+01:00Remi PerenonBugfix interface freezes when job is launchedSee issue #38See issue #38https://code.ill.fr/scientific-software/mdanse/-/merge_requests/46Bugfix error message when closing and reopening molecular viewers2019-02-02T21:51:32+01:00Remi PerenonBugfix error message when closing and reopening molecular viewersSee issue #44See issue #44https://code.ill.fr/scientific-software/mdanse/-/merge_requests/45Bugfix normalization error on weighting2019-01-30T17:00:50+01:00Remi PerenonBugfix normalization error on weightingSee issue #43See issue #43