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# Maintainer: AoyuJiao <aoyujiao050824@gmail.com>
# Contributor: BALL Project
pkgname=ballview
pkgver=1.7.4
pkgrel=1
pkgdesc="A free molecular modeling and molecular graphics tool with OpenGL visualization, molecular mechanics, and electrostatic calculations"
arch=('x86_64')
url="https://www.ballview.org/"
license=('LGPL')
depends=(
'qt6-base'
'qt6-webengine'
'boost-libs'
'eigen'
'glew'
'tbb'
'openbabel'
'curl'
'mpg123'
'mesa'
'glu'
)
makedepends=(
'cmake'
'ninja'
'git'
'boost'
'qt6-base'
'flex'
'bison'
'ccache'
'python'
'patchelf'
)
optdepends=(
'python: for Python bindings (if manually enabled)'
)
source=("git+https://github.com/BALL-Project/ball.git#tag=v${pkgver}")
sha256sums=('SKIP')
prepare() {
cd "$srcdir/ball"
if [ -d test ] && [ ! -f test/CMakeLists.txt.bak ]; then
mv test test.bak
fi
mkdir -p test
echo "# empty CMakeLists.txt to satisfy add_subdirectory" > test/CMakeLists.txt
}
build() {
cd "$srcdir/ball"
# 清除 MGLTools 的旧 libz.so.1 污染（会导致 as/ld 链接失败）
# MGLTools 位于 /opt/mgltools/lib/，其 libz.so.1 版本过老
if [[ -n "$LD_LIBRARY_PATH" ]]; then
_rmpath="/opt/mgltools/lib"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH//$_rmpath/}"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH#:}"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH%:}"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH//::/:}"
export LD_LIBRARY_PATH
fi
mkdir -p build
cd build
cmake .. \
-GNinja \
-DCMAKE_BUILD_TYPE=Release \
-DCMAKE_INSTALL_PREFIX=/usr \
-DCMAKE_CXX_STANDARD=17 \
-DBALL_PYTHON_SUPPORT=OFF \
-DBALL_HAS_FFTW=OFF \
-DWITH_LPSOLVE=OFF \
-DWITH_SVM=OFF \
-DBUILD_TESTING=OFF \
-DBALL_ENABLE_PACKAGING=OFF \
-DBALL_BUILD_TOOLS=OFF \
-DBALL_BUILD_BALLAXY=OFF \
-DBALL_BUILD_CWL=OFF \
-DBALL_BUILD_MMFF94=OFF \
-DBALL_HAS_VIEW=ON \
-DCMAKE_EXE_LINKER_FLAGS="-lcurl -lmpg123" \
-DCMAKE_INSTALL_RPATH=/usr/lib \
-DCMAKE_BUILD_RPATH_USE_LINK_PATH=OFF
ninja BALLView
}
package() {
cd "$srcdir/ball/build"
install -d "$pkgdir/usr/bin"
install -d "$pkgdir/usr/lib"
install -d "$pkgdir/usr/share/BALLView"
install -d "$pkgdir/usr/share/applications"
install -d "$pkgdir/usr/share/icons/hicolor/scalable/apps"
install -d "$pkgdir/usr/share/doc/${pkgname}"
if [ -f "bin/BALLView" ]; then
install -Dm755 bin/BALLView "$pkgdir/usr/bin/BALLView"
else
echo "ERROR: bin/BALLView not found!"
ls -la bin/ 2>/dev/null || echo "bin/ directory is empty"
exit 1
fi
for lib in $(find . -name "lib*.so*" -type f 2>/dev/null); do
libname=$(basename "$lib")
install -Dm755 "$lib" "$pkgdir/usr/lib/$libname"
done
# Clean RUNPATH: remove build-directory and PyMOL library paths
# to prevent runtime conflicts with old system libraries
patchelf --remove-rpath "$pkgdir/usr/bin/BALLView" 2>/dev/null || true
for lib in "$pkgdir/usr/lib/"lib*.so*; do
[ -f "$lib" ] && patchelf --remove-rpath "$lib" 2>/dev/null || true
done
if [ -d "$srcdir/ball/data" ]; then
cp -r "$srcdir/ball/data"/* "$pkgdir/usr/share/BALLView/"
fi
if [ -f "$srcdir/ball/README.md" ]; then
install -Dm644 "$srcdir/ball/README.md" "$pkgdir/usr/share/doc/${pkgname}/README.md"
fi
cat > "$pkgdir/usr/bin/ballview" << 'EOF'
#!/bin/bash
# Strip MGLTools paths from LD_LIBRARY_PATH — their old libz.so.1
# breaks Qt6 WebEngine (requires ZLIB >= 1.2.9)
if [[ -n "$LD_LIBRARY_PATH" ]]; then
_rmpath="/opt/mgltools/lib"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH//$_rmpath/}"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH#:}"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH%:}"
LD_LIBRARY_PATH="${LD_LIBRARY_PATH//::/:}"
export LD_LIBRARY_PATH
fi
export QT_QPA_PLATFORM=xcb
export BALL_DATA_PATH=/usr/share/BALLView
exec /usr/bin/BALLView "$@"
EOF
chmod 755 "$pkgdir/usr/bin/ballview"
cat > "$pkgdir/usr/share/applications/BALLView.desktop" << 'EOF'
[Desktop Entry]
Name=BALLView
Comment=Molecular Modeling and Visualization
Exec=ballview
Icon=ballview
Terminal=false
Type=Application
Categories=Science;Chemistry;Education;
StartupNotify=true
MimeType=chemical/x-pdb;chemical/x-xyz;chemical/x-mol2;
EOF
cat > "$pkgdir/usr/share/icons/hicolor/scalable/apps/ballview.svg" << 'EOF'
<?xml version="1.0" encoding="UTF-8"?>
<svg xmlns="http://www.w3.org/2000/svg" width="64" height="64" viewBox="0 0 64 64">
<circle cx="32" cy="32" r="30" fill="#2c5aa0"/>
<circle cx="32" cy="32" r="24" fill="#3a7bc8"/>
<text x="32" y="44" text-anchor="middle" fill="white" font-size="28" font-family="sans-serif" font-weight="bold">B</text>
<circle cx="32" cy="32" r="26" fill="none" stroke="white" stroke-width="1.5"/>
</svg>
EOF
}
post_install() {
echo ":: BALLView ${pkgver} installed"
echo ":: Run with: ballview or BALLView"
}
post_remove() {
echo ":: BALLView removed"
}
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