schroedinger_coordgenlibs, new recipe (#13480)

requirement for openbabel
This commit is contained in:
Schrijvers Luc
2025-12-24 17:01:50 +01:00
committed by GitHub
parent fd23db7485
commit 8a9cf37ddd
2 changed files with 110 additions and 0 deletions

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@@ -0,0 +1,22 @@
From 85e0cde9548d6f7cf7488ed2d8de274395460e6e Mon Sep 17 00:00:00 2001
From: Luc Schrijvers <begasus@gmail.com>
Date: Wed, 24 Dec 2025 16:46:36 +0100
Subject: Fix installation path for headers
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 9df3193..e27fc33 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -125,7 +125,7 @@ install(FILES
sketcherMinimizerResidueInteraction.h
sketcherMinimizerRing.h
sketcherMinimizerStretchInteraction.h
- DESTINATION include/coordgen)
+ DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/coordgen)
install(EXPORT coordgen-targets
FILE ${PROJECT_NAME}-config.cmake
--
2.52.0

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SUMMARY="Schrodinger-developed 2D Coordinate Generation"
DESCRIPTION="This is Schrödinger, Inc's 2D coordinate generation. It was formerly proprietary \
code, but is now released under the BSD license. The emphasis of these algorithms are on quality \
of 2D coordinates rather than speed of generation. The algorithm distinguishes itself from many \
others by doing well with both macrocycles and metal complexes. It also does extremely well on \
typical drug-like small molecules, and has been validated on millions of compounds.
Schrodinger intends to continue to contribute to this code as it still uses it inside its \
products, but will also be happy if others contribute pull-requests when there are improvements \
they would like to make. We'll also be happy to hear bug reports or feature requests from use of \
this code, though make no guarantee on our ability to process these."
HOMEPAGE="https://github.com/schrodinger/coordgenlibs"
COPYRIGHT="2017 Schrödinger, Inc."
LICENSE="BSD (3-clause)"
REVISION="1"
SOURCE_URI="https://github.com/schrodinger/coordgenlibs/archive/refs/tags/v$portVersion.tar.gz"
CHECKSUM_SHA256="f67697434f7fec03bca150a6d84ea0e8409f6ec49d5aab43badc5833098ff4e3"
SOURCE_DIR="coordgenlibs-$portVersion"
PATCHES="schroedinger_coordgenlibs-$portVersion.patchset"
ARCHITECTURES="?all ?x86_gcc2"
SECONDARY_ARCHITECTURES="?x86"
libVersion="$portVersion"
libVersionCompat="$libVersion compat >= ${libVersion%%.*}"
PROVIDES="
schroedinger_coordgenlibs$secondaryArchSuffix = $portVersion
lib:libcoordgen$secondaryArchSuffix = $libVersionCompat
"
REQUIRES="
haiku$secondaryArchSuffix
"
PROVIDES_devel="
schroedinger_coordgenlibs${secondaryArchSuffix}_devel = $portVersion
devel:libcoordgen$secondaryArchSuffix = $libVersionCompat
"
REQUIRES_devel="
schroedinger_coordgenlibs$secondaryArchSuffix == $portVersion base
"
BUILD_REQUIRES="
haiku${secondaryArchSuffix}_devel
devel:libboost_filesystem$secondaryArchSuffix >= 1.88.0
devel:libboost_unit_test_framework$secondaryArchSuffix >= 1.88.0
devel:libmaeparser$secondaryArchSuffix
"
BUILD_PREREQUIRES="
cmd:cmake
cmd:gcc$secondaryArchSuffix
cmd:make
cmd:pkg_config$secondaryArchSuffix
"
defineDebugInfoPackage schroedinger_coordgenlibs$secondaryArchSuffix \
$libDir/libcoordgen.so.$libVersion
BUILD()
{
cmake -B build -S . -DCMAKE_BUILD_TYPE=RelWithDebInfo \
$cmakeDirArgs \
-DCMAKE_POLICY_VERSION_MINIMUM=3.5 \
-DCMAKE_SKIP_RPATH=YES \
-DCOORDGEN_BUILD_EXAMPLE=OFF \
-DBUILD_TESTING=OFF \
-Wno-dev
make -C build $jobArgs
}
INSTALL()
{
make -C build install
prepareInstalledDevelLib \
libcoordgen
packageEntries devel \
$developDir \
$libDir/cmake
}
TEST()
{
export LIBRARY_PATH="$sourceDir/build${LIBRARY_PATH:+:$LIBRARY_PATH}"
ctest --test-dir build --output-on-failure
}