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Merge pull request #1832 from ghutchis/unbundle-python-scripts
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Unbundle all charge and forcefield scripts
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ghutchis authored Nov 30, 2024
2 parents c491afc + 44c9698 commit 666f46f
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Showing 11 changed files with 2 additions and 992 deletions.
12 changes: 1 addition & 11 deletions avogadro/qtplugins/forcefield/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -44,14 +44,6 @@ if (BUILD_GPL_PLUGINS AND OpenBabel3_LIBRARY)
target_link_libraries(Forcefield PRIVATE OpenBabel3)
endif()

# Bundled forcefield scripts
set(forcefields
scripts/ani2x.py
scripts/gfn1.py
scripts/gfn2.py
scripts/gfnff.py
)

if (NOT BUILD_GPL_PLUGINS)
# install the OB / Pybel forcefield scripts
list(APPEND forcefields
Expand All @@ -61,6 +53,4 @@ if (NOT BUILD_GPL_PLUGINS)
)
endif()

# Don't install the scripts - we'll use these as plugins
# install(PROGRAMS ${forcefields}
# DESTINATION "${INSTALL_LIBRARY_DIR}/avogadro2/scripts/energy/")
# Don't install any scripts - we'll use these as plugins
89 changes: 0 additions & 89 deletions avogadro/qtplugins/forcefield/scripts/ani2x.py

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88 changes: 0 additions & 88 deletions avogadro/qtplugins/forcefield/scripts/gaff.py

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104 changes: 0 additions & 104 deletions avogadro/qtplugins/forcefield/scripts/gfn1.py

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