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91 lines
2.8 KiB
Bash
91 lines
2.8 KiB
Bash
SUMMARY="Schrodinger-developed 2D Coordinate Generation"
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DESCRIPTION="This is Schrödinger, Inc's 2D coordinate generation. It was formerly proprietary \
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code, but is now released under the BSD license. The emphasis of these algorithms are on quality \
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of 2D coordinates rather than speed of generation. The algorithm distinguishes itself from many \
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others by doing well with both macrocycles and metal complexes. It also does extremely well on \
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typical drug-like small molecules, and has been validated on millions of compounds.
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Schrodinger intends to continue to contribute to this code as it still uses it inside its \
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products, but will also be happy if others contribute pull-requests when there are improvements \
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they would like to make. We'll also be happy to hear bug reports or feature requests from use of \
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this code, though make no guarantee on our ability to process these."
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HOMEPAGE="https://github.com/schrodinger/coordgenlibs"
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COPYRIGHT="2017 Schrödinger, Inc."
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LICENSE="BSD (3-clause)"
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REVISION="3"
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SOURCE_URI="https://github.com/schrodinger/coordgenlibs/archive/refs/tags/v$portVersion.tar.gz"
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CHECKSUM_SHA256="f67697434f7fec03bca150a6d84ea0e8409f6ec49d5aab43badc5833098ff4e3"
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SOURCE_DIR="coordgenlibs-$portVersion"
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PATCHES="schroedinger_coordgenlibs-$portVersion.patchset"
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ARCHITECTURES="all !x86_gcc2"
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SECONDARY_ARCHITECTURES="x86"
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libVersion="$portVersion"
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libVersionCompat="$libVersion compat >= ${libVersion%%.*}"
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boostVersion="1.90.0"
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PROVIDES="
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schroedinger_coordgenlibs$secondaryArchSuffix = $portVersion
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lib:libcoordgen$secondaryArchSuffix = $libVersionCompat
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"
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REQUIRES="
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haiku$secondaryArchSuffix
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"
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PROVIDES_devel="
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schroedinger_coordgenlibs${secondaryArchSuffix}_devel = $portVersion
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devel:libcoordgen$secondaryArchSuffix = $libVersionCompat
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"
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REQUIRES_devel="
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schroedinger_coordgenlibs$secondaryArchSuffix == $portVersion base
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"
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BUILD_REQUIRES="
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haiku${secondaryArchSuffix}_devel
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devel:libboost_filesystem$secondaryArchSuffix >= $boostVersion
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devel:libboost_unit_test_framework$secondaryArchSuffix >= $boostVersion
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devel:libmaeparser$secondaryArchSuffix
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"
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BUILD_PREREQUIRES="
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cmd:cmake
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cmd:gcc$secondaryArchSuffix
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cmd:make
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cmd:pkg_config$secondaryArchSuffix
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"
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defineDebugInfoPackage schroedinger_coordgenlibs$secondaryArchSuffix \
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$libDir/libcoordgen.so.$libVersion
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BUILD()
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{
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cmake -B build -S . -DCMAKE_BUILD_TYPE=RelWithDebInfo \
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$cmakeDirArgs \
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-DCMAKE_POLICY_VERSION_MINIMUM=3.5 \
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-DCMAKE_SKIP_RPATH=YES \
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-DCOORDGEN_BUILD_EXAMPLE=OFF \
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-DBUILD_TESTING=OFF \
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-Wno-dev
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make -C build $jobArgs
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}
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INSTALL()
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{
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make -C build install
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prepareInstalledDevelLib \
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libcoordgen
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packageEntries devel \
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$developDir \
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$libDir/cmake
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}
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TEST()
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{
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export LIBRARY_PATH="$sourceDir/build${LIBRARY_PATH:+:$LIBRARY_PATH}"
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ctest --test-dir build --output-on-failure
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}
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