4.0.2rc #2585

RudolfWeeber · 2019-03-13T13:37:13Z

Description of changes:

PR Checklist

Tests?
- Interface
- Core
Docs?

remove unneeded executable permissions from some files

Fix dp3m ifdefs; dawaanr-and-bh-gpu testcase requirements

Core+Test: Changing the time step should not affect particle velocities

EK python interface fix

coulomb and elc testcases can only be run with PARTIAL_PERIODIC enabled

Fixed soft sphere cutoff calculation

Fix typo in Mac installation guide

…ed_potential Fix tabulated potential

core: Make tabulated pair IA not crash if distance is too small

Testsuite: Better testing of vs relative with have_quaternions=true

Register button

fweik · 2019-03-14T10:47:28Z

This should be merged into the 4.0 branch, not 4.0.1-release, no?

RudolfWeeber · 2019-03-14T11:09:21Z

On Thu, Mar 14, 2019 at 10:47:28AM +0000, Florian Weik wrote: This should be merged into the 4.0 branch, not 4.0.1-release, no?

I had no intention of merging. I picked the base branch such that the diff makes sense and can be checked.

codecov · 2019-03-14T11:10:30Z

Codecov Report

Merging #2585 into release-4.0.1 will decrease coverage by <1%.
The diff coverage is 100%.

@@              Coverage Diff              @@
##           release-4.0.1   #2585   +/-   ##
=============================================
- Coverage             69%     69%   -1%     
=============================================
  Files                470     469    -1     
  Lines              31842   31839    -3     
=============================================
- Hits               22215   22206    -9     
- Misses              9627    9633    +6

Impacted Files	Coverage Δ
src/core/reaction_ensemble.cpp	`81% <ø> (ø)`	⬆️
src/core/virtual_sites/VirtualSites.hpp	`100% <ø> (ø)`	⬆️
src/core/p3m.cpp	`83% <ø> (ø)`	⬆️
src/core/mdlc_correction.cpp	`87% <ø> (ø)`	⬆️
src/core/lbboundaries/LBBoundary.hpp	`100% <ø> (ø)`	⬆️
src/core/communication.cpp	`75% <ø> (-1%)`	⬇️
src/core/comfixed_global.cpp	`100% <ø> (ø)`	⬆️
src/core/galilei.cpp	`0% <ø> (ø)`	⬆️
src/core/halo.cpp	`57% <ø> (-2%)`	⬇️
src/core/scafacos.cpp	`76% <ø> (ø)`	⬆️
... and 29 more

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fixed compile errors

* LB GPU: ignore * LB CPU: Runtime error

LBGPU: Don't forget boundaries on on_cell_strucutre_change()

2719: BH-gpu magnetostatics: multiple CPU support and refactoring r=fweik a=psci2195 Fixes espressomd#2500 In general, this fix is important cause it allows a user to parallelize both CPU and GPU calculations: EOM integration and magnetostatics respectively. Description of changes: - Correct dipole prefactor broadcasting among the nodes - New test dds-and-bh-gpu.py is running over 4 CPUs: a comparison between BH and DDS gpu calculations. A new test has been needed because we cannot use dds-cpu as a baseline cause it does not support multiple CPUs. - Some technical debt has been caught up here as well: smart pointers based BH, the AMD GPU skip cleanup, per node test seeding. PR Checklist ------------ - [ ] Tests? - [ ] Interface - [ ] Core - [ ] Docs? Co-authored-by: Bogdan Tanygin <b.m.tanygin@gmail.com> Co-authored-by: Brian Tanygin <b.m.tanygin@gmail.com>

RudolfWeeber · 2019-04-25T08:14:12Z

@jngrad could you please give the diff between 4.0.1 and this branch a final check and then set the release process in motion?
You can also make a decision about still including the visualizer corrections or deferring them for the next time. They will have to be tested manually in the 4.0.2 branch.

mkuron · 2019-04-25T12:40:38Z

I have confirmed that #2751 and #2677 are safe to cherry-pick.

fweik · 2019-04-26T14:11:00Z

@jngrad did you push to https://github.com/espressomd/espresso/tree/upstream/release-4.0.2 on purpose? Also if some of the ci pipelines are not actually needed please cancel them. They are running the emulated tests, an clog up the CI for hours.

jngrad · 2019-04-26T14:20:07Z

I know, will git push upstream :upstream/release-4.0.2 release-4.0.2 fix it?

fweik · 2019-04-26T14:23:13Z

I think you can only push from local to remote, not remote to remote. But I guess you can just rename the branch on github?

jngrad · 2019-04-26T14:25:27Z

The GitHub interface only enable branch deletion, not renaming. Solved it by deleting then pushing again with the right name.

fweik · 2019-04-26T14:35:43Z

@KaiSzuttor @RudolfWeeber so far we only had branches for the minor versions, not sure how we want to go about this. I would have put the 4.0.2 on the 4.0 branch.

RudolfWeeber · 2019-04-26T14:46:45Z

On Fri, Apr 26, 2019 at 02:35:44PM +0000, Florian Weik wrote: @KaiSzuttor @RudolfWeeber so far we only had branches for the minor versions, not sure how we want to go about this. I would have put the 4.0.2 on the 4.0 branch.

For 4.0.1, we made a branch, I think. If I checkout 4.0, that's what I'd expect to get.

mkuron · 2019-04-26T14:48:11Z

so far we only had branches for the minor versions, not sure how we want to go about this. I would have put the 4.0.2 on the 4.0 branch.

I agree, but for some reason @KaiSzuttor insisted on keeping the 4.0 branch at 4.0.0 and introducing a branch release-4.0.1 which pointed to the same commit as the v4.0.1 tag. Common practice is that branches should be used for minor versions and tags for patch releases. That would have enabled useful things like allowing other people to post pull request against the release branch...

mkuron · 2019-04-26T14:49:26Z

If I checkout 4.0, that's what I'd expect to get.

Actually, you should expect to get the latest 4.0.x release plus any further bug fixes that have been merged to that branch. If you check out the 4.0.0 tag, you would get precisely that release.

fweik · 2019-04-26T14:51:30Z

I agree with @mkuron, also I think in the end we did put 4.0.1 into the 4.0 branch (see https://github.com/espressomd/espresso/branches, no 4.0.1 branch).

jngrad · 2019-04-26T14:59:36Z

@fweik there is a 4.0.1 branch: https://github.com/espressomd/espresso/branches/stale

fweik · 2019-04-26T15:02:36Z

Ok, I still think that keeping patch level branches around is odd, after all the patch release should be compatible, and the previous version contains known bugs (hence the bugfix release), and should not be used anymore.

RudolfWeeber · 2019-04-26T15:12:11Z

Ok, I still think that keeping patch level branches around is odd, after all the patch release should be compatible, and the previous version contains known bugs (hence the bugfix release), and should not be used anymore.

OK, let's implement @mkuron's suggestion for 4.1. Hopefully, this will be the last 4.0.x release.

KaiSzuttor and others added 13 commits March 12, 2019 15:22

Merge pull request espressomd#2470 from mkuron/exec

7b1fffa

remove unneeded executable permissions from some files

Merge pull request espressomd#2477 from pkreissl/fix_dp3m_ifdefs

cb808de

Fix dp3m ifdefs; dawaanr-and-bh-gpu testcase requirements

Merge pull request espressomd#2480 from RudolfWeeber/integ_test_2

df1c2dd

Core+Test: Changing the time step should not affect particle velocities

Merge pull request espressomd#2486 from itischler/python

4c0b460

EK python interface fix

Merge pull request espressomd#2487 from itischler/testsuite_fix

463ef46

coulomb and elc testcases can only be run with PARTIAL_PERIODIC enabled

Merge pull request espressomd#2505 from fweik/wca

14c0c18

Fixed soft sphere cutoff calculation

Merge pull request espressomd#2510 from mkuron/patch-12

82b3709

Fix typo in Mac installation guide

Merge pull request espressomd#2519 from christophlohrmann/fix_tabulat…

fa859b3

…ed_potential Fix tabulated potential

Merge pull request espressomd#2520 from fweik/tab

a1a7e04

core: Make tabulated pair IA not crash if distance is too small

Merge pull request espressomd#2552 from RudolfWeeber/vs_quat_test

1a7b3a5

Testsuite: Better testing of vs relative with have_quaternions=true

Merge pull request espressomd#2571 from jngrad/register_button

181cfb5

Register button

CMAke, config: Set version to 4.0.2

19b0f8f

Merge regression

3279458

RudolfWeeber changed the base branch from python to release-4.0.1 March 13, 2019 13:38

RudolfWeeber added 2 commits March 13, 2019 15:08

Disable LB three point coupling for 4.0.2

8ebc4e4

Formatting and mode changes

04b1463

RudolfWeeber force-pushed the 4.0.2rc branch from 952199a to 04b1463 Compare March 14, 2019 08:50

Merge regression (tabulated ia)

544b01a

fweik changed the title ~~4.0.2rc~~ WIP: 4.0.2rc Mar 15, 2019

RudolfWeeber and others added 4 commits April 11, 2019 11:03

Fix LB Boundary forces, backport lb_shear, lb_stokes_sphere tests

b764d0c

NEWS: 4.0.2 release notes

84952c3

Fixed reference to __device__ from __host__ __device__ bug

4047f5f

Merge pull request #34 from itischler/4.0.2

beeaa2c

fixed compile errors

RudolfWeeber force-pushed the 4.0.2rc branch from a3d4fc5 to beeaa2c Compare April 12, 2019 11:53

RudolfWeeber added 3 commits April 15, 2019 13:19

Testsuite: Actually make the lb test deterministic

0009402

Testsuite: lb merge regression

a50a648

LB: Adjust reaction to md cell geometry change

5c81def

* LB GPU: ignore * LB CPU: Runtime error

fweik and others added 8 commits April 23, 2019 11:03

Merge pull request espressomd#2736 from RudolfWeeber/lb_gpu_boundary_fix

b0bb747

LBGPU: Don't forget boundaries on on_cell_strucutre_change()

Formatting

f799dda

Fix merge regression in vs tracers test

1df1af7

Update NEWS

975e4f2

Formatting

480e8c8

Merge regression

1e7d4d1

Update NEWS

278cd6b

Restore Mayavi visualizer’s API-compatibility with OpenGL visualizer

9fe9801

mkuron mentioned this pull request Apr 25, 2019

cherry-pick visualizer fixes RudolfWeeber/espresso#36

Closed

jngrad added 4 commits April 25, 2019 15:17

Update NEWS

488eb91

Spell check and grammar check

ddf794d

Fix Python2-specific import error

ec5541b

Update NEWS

9aa8b76

jngrad closed this Apr 26, 2019

jngrad changed the title ~~WIP: 4.0.2rc~~ 4.0.2rc Apr 27, 2019

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4.0.2rc #2585

4.0.2rc #2585

RudolfWeeber commented Mar 13, 2019

fweik commented Mar 14, 2019

RudolfWeeber commented Mar 14, 2019 via email

codecov bot commented Mar 14, 2019 •

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RudolfWeeber commented Apr 25, 2019

mkuron commented Apr 25, 2019

fweik commented Apr 26, 2019

jngrad commented Apr 26, 2019

fweik commented Apr 26, 2019

jngrad commented Apr 26, 2019

fweik commented Apr 26, 2019

RudolfWeeber commented Apr 26, 2019 via email

mkuron commented Apr 26, 2019

mkuron commented Apr 26, 2019

fweik commented Apr 26, 2019

jngrad commented Apr 26, 2019

fweik commented Apr 26, 2019

RudolfWeeber commented Apr 26, 2019 via email

4.0.2rc #2585

4.0.2rc #2585

Conversation

RudolfWeeber commented Mar 13, 2019

Description of changes:

PR Checklist

fweik commented Mar 14, 2019

RudolfWeeber commented Mar 14, 2019 via email

codecov bot commented Mar 14, 2019 • edited Loading

Codecov Report

RudolfWeeber commented Apr 25, 2019

mkuron commented Apr 25, 2019

fweik commented Apr 26, 2019

jngrad commented Apr 26, 2019

fweik commented Apr 26, 2019

jngrad commented Apr 26, 2019

fweik commented Apr 26, 2019

RudolfWeeber commented Apr 26, 2019 via email

mkuron commented Apr 26, 2019

mkuron commented Apr 26, 2019

fweik commented Apr 26, 2019

jngrad commented Apr 26, 2019

fweik commented Apr 26, 2019

RudolfWeeber commented Apr 26, 2019 via email

codecov bot commented Mar 14, 2019 •

edited

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