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First attempt to get the tests passing again
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RDKit is no longer optional.
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pemsley committed Sep 12, 2024
1 parent b5ee487 commit cb6534f
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Showing 3 changed files with 15 additions and 11 deletions.
5 changes: 3 additions & 2 deletions .github/workflows/build-coot-macos.yml
Original file line number Diff line number Diff line change
Expand Up @@ -54,8 +54,9 @@ jobs:
- name: ls the executable
run: ls -lt /opt/homebrew/bin

- name: ls the install bin
run: ls -lt /opt/homebrew/Cellar/coot/HEAD*/bin
# 20240911 this has stopped working.
# - name: ls the install bin
# run: ls -lt /opt/homebrew/Cellar/coot/HEAD*/bin

# the homebrew build is still broken
# - name: Does it run?
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7 changes: 7 additions & 0 deletions .github/workflows/build-libcootapi-ubuntu.yml
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Expand Up @@ -63,6 +63,13 @@ jobs:
CHAPI_ONLY: true
run: bash build-it-3-3 || echo done

- name: Upload build-logs
uses: actions/upload-artifact@v4
with:
name: ubuntu-libcootapi-chapi-dependency-logs
path: /home/runner/public_html/build-logs
retention-days: 3

- name: create-build-directory-for-libcootapi
run: mkdir build-libcootapi

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14 changes: 5 additions & 9 deletions CMakeLists.txt
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Expand Up @@ -58,15 +58,11 @@ add_definitions(-DANALYSE_REFINEMENT_TIMING -DPACKAGE_VERSION="1"
-DHAVE_CXX_THREAD -DHAVE_SSMLIB -DHAVE_BOOST -DUSE_LIBPNG=1 -DCLIPPER_HAS_TOP8000 -DUSE_GEMMI -DHAVE_BOOST_THREAD -DHAVE_GSL
-DPKGDATADIR="${CMAKE_INSTALL_PREFIX}/share/coot" -DXDATADIR="${CMAKE_INSTALL_PREFIX}/share")

if (ENHANCED_LIGAND_TOOLS)
add_definitions(-DMAKE_ENHANCED_LIGAND_TOOLS)
message("-- Found ENHANCED_LIGAND_TOOLS setting - now requiring the RDKit")
find_package(Cairo REQUIRED)
find_package(RDKit CONFIG COMPONENTS RDGeneral REQUIRED)
set(RDKit_libs_for_libcootapi RDKit::rdkit_base RDKit::Descriptors RDKit::ForceFieldHelpers RDKit::ForceField RDKit::Optimizer RDKit::MolDraw2D RDKit::MolChemicalFeatures)
else()
message("-- Note: MAKE_ENHANCED_LIGAND_TOOLS was not enabled")
endif()
add_definitions(-DMAKE_ENHANCED_LIGAND_TOOLS)
message("-- Found ENHANCED_LIGAND_TOOLS setting - now requiring the RDKit")
find_package(Cairo REQUIRED)
find_package(RDKit CONFIG COMPONENTS RDGeneral REQUIRED)
set(RDKit_libs_for_libcootapi RDKit::rdkit_base RDKit::Descriptors RDKit::ForceFieldHelpers RDKit::ForceField RDKit::Optimizer RDKit::MolDraw2D RDKit::MolChemicalFeatures)

# we can be on Apple, and also have access to homebrew dwarf and elf - but this typically not the case
# should this actually be ENABLE_BACKWARD? (util/backward.cpp is not conditionally compiled)
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