* update avogadrolibs to 1.99.0-1
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@ -2,9 +2,9 @@
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# Maintainer: Antonio Rojas <arojas@archlinux.org>
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# Maintainer: Antonio Rojas <arojas@archlinux.org>
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pkgbase=avogadrolibs
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pkgbase=avogadrolibs
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pkgname=(avogadrolibs avogadrolibs-qt5)
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pkgname=(avogadrolibs)
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pkgver=1.98.1
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pkgver=1.99.0
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pkgrel=4.1
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pkgrel=1
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pkgdesc='Libraries that provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas'
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pkgdesc='Libraries that provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas'
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arch=(x86_64 powerpc64le powerpc64 powerpc riscv64)
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arch=(x86_64 powerpc64le powerpc64 powerpc riscv64)
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url='https://www.openchemistry.org/'
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url='https://www.openchemistry.org/'
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@ -12,6 +12,7 @@ license=(custom)
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makedepends=(boost
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makedepends=(boost
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cmake
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cmake
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eigen
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eigen
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fast_float
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fmt
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fmt
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hdf5
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hdf5
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genxrdpattern
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genxrdpattern
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@ -22,17 +23,24 @@ makedepends=(boost
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openmpi
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openmpi
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pybind11
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pybind11
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python
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python
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qt5-svg
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qt5-tools
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qt5-tools
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qt6-5compat
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qt6-declarative
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qt6-svg
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qt6-tools
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spglib
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spglib
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tbb
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tbb
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utf8cpp
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verdict
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verdict
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vtk)
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vtk)
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source=(https://github.com/OpenChemistry/avogadrolibs/archive/$pkgver/$pkgname-$pkgver.tar.gz)
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source=(https://github.com/OpenChemistry/avogadrolibs/archive/$pkgver/$pkgname-$pkgver.tar.gz
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sha256sums=('cb1d2c83a7f2c89c46ad46fdecace0d6f4de76c0898708ad52cf1e5a0aad1fb6')
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https://github.com/antonio-rojas/avogadrolibs/commit/6e2e84db.patch)
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sha256sums=('34808e3c602b0f60f3c160ff0220832aee777db86e962e3f958c6327fb434063'
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'285d7b8aef7cd489a2829840519051dbdbe232c06a540268860a3a6dbc8d5ca9')
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prepare() {
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prepare() {
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mkdir crystals molecules # Dummy dirs to trick cmake, actually provided by avogadro-molecules and avogadro-crystals
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mkdir crystals fragments molecules # Dummy dirs to trick cmake, actually provided by avogadro-{crystals,fragments,molecules}
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patch -d $pkgname-$pkgver -p1 < 6e2e84db.patch # Fix wrong cmake variable name
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}
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}
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build() {
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build() {
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@ -51,6 +59,7 @@ build() {
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-DUSE_HDF5=ON \
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-DUSE_HDF5=ON \
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-DUSE_VTK=ON \
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-DUSE_VTK=ON \
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-DUSE_PYTHON=ON \
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-DUSE_PYTHON=ON \
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-DQT_VERSION=6 \
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-DUSE_SYSTEM_GENXRDPATTERN=ON \
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-DUSE_SYSTEM_GENXRDPATTERN=ON \
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-DUSE_EXTERNAL_NLOHMANN=ON \
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-DUSE_EXTERNAL_NLOHMANN=ON \
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-DUSE_EXTERNAL_PUGIXML=ON
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-DUSE_EXTERNAL_PUGIXML=ON
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@ -59,6 +68,7 @@ build() {
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package_avogadrolibs() {
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package_avogadrolibs() {
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depends=(avogadro-crystals
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depends=(avogadro-crystals
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avogadro-fragments
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avogadro-molecules
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avogadro-molecules
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gcc-libs
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gcc-libs
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glew
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glew
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@ -80,28 +90,3 @@ package_avogadrolibs() {
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install -Dm644 $pkgname-$pkgver/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname
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install -Dm644 $pkgname-$pkgver/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname
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}
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}
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package_avogadrolibs-qt5() {
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pkgdesc="Qt 5 modules for Avogadro"
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depends=(avogadrolibs
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fmt # needed by VTK dependencies
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gcc-libs
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glew
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glibc
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libarchive
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libglvnd
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libmsym
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libxcursor # needed by VTK dependencies
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openmpi # needed by VTK dependencies
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qt5-base
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qt5-svg
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vtk)
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DESTDIR="$pkgdir" cmake --install build/avogadro/molequeue
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DESTDIR="$pkgdir" cmake --install build/avogadro/qtgui
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DESTDIR="$pkgdir" cmake --install build/avogadro/qtopengl
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DESTDIR="$pkgdir" cmake --install build/avogadro/qtplugins
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DESTDIR="$pkgdir" cmake --install build/avogadro/vtk
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install -Dm644 $pkgbase-$pkgver/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname
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}
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