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Setting up the tests#2

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Iximiel wants to merge 218 commits intocmakeIximiel/plumed2:cmakefrom cmaketestSetUpIximiel/plumed2:cmaketestSetUpCopy head branch name to clipboard

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Commits on Mar 21, 2023

• cppcheck 2.10.3

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Commits on Apr 2, 2023

• rename files

  

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• changed my mind about filenames

  

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• plumed version

  

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• Université Paris Cité

  

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Commits on Apr 5, 2023

• remove Ex. 3

  

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Commits on Apr 21, 2023

• COSINUS doc is not compatible with MathJax

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• the COSINUS switching function now is shown

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Commits on Apr 22, 2023

• using array over using cases -TD_Mulicanonical doc

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• using array over using cases -TD_Uniform doc

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• reinserted missing equations in VES tutorials

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• solved: cases renders incorrectly in pdflatex

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• DRR: add output of zgrad for debugging and inspecting the spring forces

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• DRR: document the changes and fix the bold symbol of \xi

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• DRR: Mute the codecheck warning

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Commits on Apr 24, 2023

• DRR: add output of zgrad for debugging and inspecting the spring forces

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• DRR: document the changes and fix the bold symbol of \xi

  

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• DRR: Mute the codecheck warning

  

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• Merge branch 'v2.9'

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• Using ubuntu 22 in tests

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• Merge branch 'v2.8' into v2.9

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• Merge remote-tracking branch 'daniele/switchDoc2.8' into v2.8

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• Merge branch 'v2.9'

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Commits on Apr 27, 2023

• Update link to Environment Finder (plumed#932)

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• Merge branch 'v2.7' into v2.8

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• Merge branch 'v2.9'

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• Merge remote-tracking branch 'origin/v2.8' into v2.9

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• Merge branch 'v2.9'

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• Added regtest for changedir and list files

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• Merge branch 'v2.9'

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• Added -fno-gnu-unique

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• Small cppcheck fix

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Commits on May 14, 2023

• New warnings for METAD adn WALKERS_MPI (plumed#931)

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• Merge branch 'v2.9' of github.com:plumed/plumed2 into v2.9

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• New warnings for METAD adn WALKERS_MPI (plumed#931)

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• Merge branch 'v2.9'

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Commits on May 16, 2023

• V2.9 - add to OPES same MPI-related error messages of METAD (plumed#940)

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• Merge branch 'v2.9'

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Commits on May 18, 2023

• added the tests

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• TEMPORARY disabling workflow

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• hoping that work for sure

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• corrected the cmake set up in the CI

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• updated the CI

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• CI restored

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Commits on May 19, 2023

• upgrading the CMake configuration for install

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• Now the CMakeFiles are compatible with the new macro

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• all the includes are installed where is needed

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• added installation to the CI

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Commits on May 21, 2023

• Added GPUMD

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• Merge branch 'v2.9'

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Commits on May 22, 2023

• It looks like this test does not really use MPI (plumed#942)

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• installing the Template.cpp

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• Removed useless command

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• Made plumed calls in regtests more robust

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• Merge branch 'v2.8' into v2.9

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• Merge branch 'v2.9'

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• redesigend ADDMODULETOKERNEL to include needs and dependencies

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• Using better env var for openMPI

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• Merge branch 'v2.8' into v2.9

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• Merge branch 'v2.9'

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• fedora38 (gcc 13)

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• simplified docker jobs using matrix

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• fixed warnings on strncat

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• safety use of long double

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• added scripts and patches to installation recipe

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• install now align slightly better with the original make

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Commits on May 23, 2023

• robuts deltaF initialization

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• more robust exp

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• numerically robust log1p of exp

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• cleanup opes postprocessing scripts

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• clearer use of configurable files

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• tab formatting

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• update changelog

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• Merge pull request plumed#943 from invemichele/expanded_overflow

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• Merge branch 'v2.8' into v2.9

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• Merge branch 'v2.9'

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• more in changelog

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• Merge branch 'v2.8' into v2.9

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• Merge branch 'v2.9'

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• robust neff for step estimation

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• remove last long double

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• Merge pull request plumed#944 from invemichele/expanded_overflow

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• Merge branch 'v2.8' into v2.9

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• Merge branch 'v2.9'

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Commits on May 24, 2023

• sliglhtly more aligned to the make install

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• added the reusable workflows

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• Merge pull request plumed#945 from Iximiel/addingReusableWorkflows

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Commits on May 25, 2023

• adding some more options to config

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• Removed latex from keyword explanation as the latex breaks the json file

  

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• Merge branch 'v2.9'

  

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• Release v2.8.3

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• Merge branch 'v2.8' into v2.9

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• adjusted changelog for 2.9

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• Release v2.9.0

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• Merge branch 'v2.9'

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• added mpi

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Commits on May 26, 2023

• add a way to search for external Molfile plugins

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• small tweaks in c++11 settings

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• added libmolfile_plugin.h to the search

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Commits on May 29, 2023

• small tweaks

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• moved macros in a specific directory

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• added search for boost libraries

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• added cregex search

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• added __PLUMED_HAS_RTLD_DEFAULT and a new function for config

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• added chdir popen and getcwd

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• checked for subprocess

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• nearly all of the default yes option are up

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• now the test install the needed libraries

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• added readdir_r

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Commits on May 30, 2023

• some more cleaning in the config file

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• changed how SOEXT works

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• libraries now install correclty

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• set permission to scripts

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Commits on Jun 1, 2023

• working on installation and on tests automation

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• small change in CONFIGSETTINGS

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• added the first step for the config.txt file

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Commits on Jun 3, 2023

• Cleaning (?) headers (plumed#941)

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Commits on Jun 8, 2023

• Merge pull request #3 from plumed/master

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• more standard and controllable directory install choiche

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• getting the bases for configuring Plumed.inc

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Commits on Jun 9, 2023

• starting to prepare the pc config and the .inc files

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Commits on Jun 21, 2023

• trying to make the *.inc look like the originals

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Commits on Jun 22, 2023

• added enable_libsearch and a easier control over some libraries

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• the various plumed.inc looks like the ondes from automake

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• completing configure.txt

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• set up the default status for the modules

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• small rationalization int the CMakeLists

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Commits on Jun 23, 2023

• again some more rationalization on the module settings

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• Simplified module declaration

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• qol change to CMAKE_BUILD_TYPE

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• small test update

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• small test update

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• small test update

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• small changes in lib and corrected tests

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Commits on Aug 3, 2023

• some aestetic changes

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Commits on Aug 4, 2023

• creating a prototype for testing

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• setting up aliases for the executables

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• improved the test macro

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Commits on Aug 7, 2023

• better run_ctest

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• small changes to make easier test without install

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Commits on Aug 8, 2023

• nw test accepts extra files and plumed modules

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• copied fixzeroes into run_ctests

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Commits on Aug 9, 2023

• preparing for the future

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• regtest_before adaptation seems to work

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• regtest_after adaptation seems to work

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• forgot to commit the key feature

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• ctest can run the driver tests in the basic dir

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• added the possibility to set up Labels for the tests

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• added the possibility to set up Labels for the tests

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• small corrections

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Commits on Aug 10, 2023

• Merge branch 'cmakeCtests' of https://github.com/Iximiel/plumed2 into cmakeCtests

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Commits on Aug 11, 2023

• Added a new CLtool: config

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• added the plumed_custom_skip to the test converter

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• Set up the base for exporting plumed

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• The exported targets compiles correctly a new so

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Commits on Aug 16, 2023

• set up a more roubst wayt to pass the lib dependencies

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Commits on Aug 17, 2023

• blas and lapack code now is more readable

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Commits on Aug 18, 2023

• some CMakeLists polishing

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• created the add_plumed_plugin for cmake dependencies

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• updated

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Commits on Aug 21, 2023

• some more refinements in the pacage.cmake

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• cleaning the src List

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• now testa can be run as a standalone project

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Commits on Aug 22, 2023

• Added a comment to the regtest list to inform the user that can be run standalone

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• set up a better installation process, a new mklib

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• Merge branch 'cmakeCtests' into mergeCtests

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Commits on Aug 23, 2023

• changed the exit code for skip to 125

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• created make test , as now works for installed targets

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Commits on Aug 24, 2023

• clarified the paralel between the makefile and the list for liraries and executable

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• Polishing of the lists

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• the make tests seems to work in the build environment

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• Build-only config works, Fortan works in the CI with gcc(#32)

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