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Pycv package#45

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tonigi wants to merge 56 commits intoIximiel:pycv-packageIximiel/plumed2:pycv-packagefrom tonigi:pycv-packagetonigi/plumed2:pycv-packageCopy head branch name to clipboard

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Commits on Sep 3, 2024

• switch master to 2.11

  GiovanniBussi

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• Merge branch 'v2.10'

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• Merge branch 'v2.10'

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• Merge branch 'v2.10'

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Commits on Sep 4, 2024

• Added missing keywords to MultiColvarDensity

  

  Gareth Aneurin Tribello

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  Gareth Aneurin Tribello

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Commits on Sep 13, 2024

• Update SwitchingFunction.cpp

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  gtribello

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Commits on Sep 18, 2024

• Merge branch 'v2.9'

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Commits on Sep 19, 2024

• Merge branch 'v2.9'

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Commits on Oct 1, 2024

• Improvmements to documentation by adding types of value (plumed#1106)

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Commits on Oct 3, 2024

• Merge branch 'v2.10'

  

  Gareth Aneurin Tribello

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• Added default values for keywords to json syntax file

  

  Gareth Aneurin Tribello

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• Modified json syntax file generation so default value of keyword and flag that tells if the keyword is reusable are both output to json file

  

  Gareth Aneurin Tribello

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• Reuse result from getenv

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  mabraham

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Commits on Oct 4, 2024

• Merge pull request plumed#1116 from mabraham/pacify-clang-analyzer

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  GiovanniBussi

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Commits on Oct 7, 2024

• Handler field name is section, not watch

  Luthaf

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• Fixed issue with saving input lines from ActionShortcut to fix problem in nest

  

  Gareth Aneurin Tribello

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Commits on Oct 8, 2024

• Merge pull request plumed#1122 from lab-cosmo/fix-tools

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  GiovanniBussi

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Commits on Oct 9, 2024

• Merge branch 'v2.10'

  carlocamilloni

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Commits on Oct 10, 2024

• Merge branch 'v2.10'

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Commits on Oct 11, 2024

• setting up a way for calling pycv wit the python module

  Iximiel

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• Now pycv works with pip

  Iximiel

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• now the action is included within the wheel

  Iximiel

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• now pycv looks more like a package

  Iximiel

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• Reordering the installation procedure

  Iximiel

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• added a sort of "FIND PLUMED" that does not work

  Iximiel

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Commits on Oct 14, 2024

• some cleaning

  Iximiel

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• reorganized the code to try to work

  Iximiel

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• bettwen naming

  Iximiel

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• setting up a second run option, adding an helper

  Iximiel

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• removed the self-import gor getting the path of pycv

  Iximiel

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• adding an example

  Iximiel

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• Better CMakefiles

  Iximiel

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Commits on Oct 16, 2024

• moving to a more "external" include fashion

  Iximiel

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• Now pycv seems to work again

  Iximiel

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• A more "canonical" CMake

  Iximiel

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• now it shoudl work with plumed from pkg-config or not installed (just needs the plumed executable in the path)

  Iximiel

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Commits on Oct 17, 2024

• Restored the Makefile

  Iximiel

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• restoring the standalone tests

  Iximiel

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• resahping the python test

  Iximiel

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• adding some extra tests

  Iximiel

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• updating the WF

  Iximiel

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• better makefile?

  Iximiel

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Commits on Oct 18, 2024

• addressing a problem with master

  Iximiel

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• Now pycv appears to load correcly

  Iximiel

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• added an extra test

  Iximiel

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• set up aslo a few basic tests for pyfunc

  Iximiel

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• updated the docker recipes with the new installation method of pycv

  Iximiel

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Commits on Oct 21, 2024

• using pip3 in the makefile

  Iximiel

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• sourcing the correct bashrc in rocky8

  Iximiel

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• checking if changing env will make the CI pass

  Iximiel

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• now findplumed uses plumed--no-mpi

  Iximiel

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Commits on Oct 22, 2024

• readding a donfiguration file

  Iximiel

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Commits on Jan 16, 2025

• Now the tests are compatible with with GNUsed and BSDsed

  Iximiel

  committed
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Commits on Jan 22, 2025

• added scripts symlink for convenience

  tonigi

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• Updated readme for pip-based instructions.

  tonigi

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Commits on Jan 24, 2025

• pycv regtest symlink should be relative. also remove its creation from docker

  tonigi

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