diff --git a/avogadrolibs/.SRCINFO b/avogadrolibs/.SRCINFO new file mode 100644 index 0000000000..d6289533d0 --- /dev/null +++ b/avogadrolibs/.SRCINFO @@ -0,0 +1,62 @@ +pkgbase = avogadrolibs + pkgdesc = Libraries that provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas + pkgver = 1.99.0 + pkgrel = 6 + url = https://www.openchemistry.org/ + arch = x86_64 + license = custom + makedepends = boost + makedepends = cmake + makedepends = eigen + makedepends = fast_float + makedepends = fmt + makedepends = git + makedepends = hdf5 + makedepends = genxrdpattern + makedepends = glew + makedepends = libmsym + makedepends = mmtf-cpp + makedepends = nlohmann-json + makedepends = openmpi + makedepends = pybind11 + makedepends = python + makedepends = qt5-svg + makedepends = qt5-tools + makedepends = spglib + makedepends = tbb + makedepends = utf8cpp + makedepends = verdict + makedepends = vtk + source = git+https://github.com/OpenChemistry/avogadrolibs#tag=1.99.0 + sha256sums = ad26ef7d887924a867c5aba68ecc3803b2684652d65a442516903c9343a332ff + +pkgname = avogadrolibs + depends = avogadro-crystals + depends = avogadro-fragments + depends = avogadro-molecules + depends = gcc-libs + depends = glew + depends = glibc + depends = hdf5 + depends = libglvnd + depends = molequeue + depends = pugixml + depends = spglib + depends = verdict + optdepends = avogadrolibs-qt5: For the VTK and Qt plugins + +pkgname = avogadrolibs-qt5 + pkgdesc = Qt 5 modules for Avogadro + depends = avogadrolibs + depends = fmt + depends = gcc-libs + depends = glew + depends = glibc + depends = libarchive + depends = libglvnd + depends = libmsym + depends = libxcursor + depends = openmpi + depends = qt5-base + depends = qt5-svg + depends = vtk diff --git a/avogadrolibs/.nvchecker.toml b/avogadrolibs/.nvchecker.toml new file mode 100644 index 0000000000..2c25c9e157 --- /dev/null +++ b/avogadrolibs/.nvchecker.toml @@ -0,0 +1,4 @@ +[avogadrolibs] +source = 'github' +github = 'OpenChemistry/avogadrolibs' +use_max_tag = true diff --git a/avogadrolibs/PKGBUILD b/avogadrolibs/PKGBUILD index a84a500727..1f7e9147a1 100644 --- a/avogadrolibs/PKGBUILD +++ b/avogadrolibs/PKGBUILD @@ -2,9 +2,10 @@ # Maintainer: Antonio Rojas pkgbase=avogadrolibs -pkgname=(avogadrolibs) +pkgname=(avogadrolibs + avogadrolibs-qt5) pkgver=1.99.0 -pkgrel=4 +pkgrel=6 pkgdesc='Libraries that provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas' arch=(x86_64 powerpc64le powerpc64 powerpc riscv64) url='https://www.openchemistry.org/' @@ -14,6 +15,7 @@ makedepends=(boost eigen fast_float fmt + git hdf5 genxrdpattern glew @@ -23,6 +25,7 @@ makedepends=(boost openmpi pybind11 python + qt5-svg qt5-tools qt6-5compat qt6-declarative @@ -33,14 +36,13 @@ makedepends=(boost utf8cpp verdict vtk) -source=(https://github.com/OpenChemistry/avogadrolibs/archive/$pkgver/$pkgname-$pkgver.tar.gz - https://github.com/antonio-rojas/avogadrolibs/commit/6e2e84db.patch) -sha256sums=('34808e3c602b0f60f3c160ff0220832aee777db86e962e3f958c6327fb434063' - '285d7b8aef7cd489a2829840519051dbdbe232c06a540268860a3a6dbc8d5ca9') +source=(git+https://github.com/OpenChemistry/avogadrolibs#tag=$pkgver) +sha256sums=('ad26ef7d887924a867c5aba68ecc3803b2684652d65a442516903c9343a332ff') prepare() { mkdir crystals fragments molecules # Dummy dirs to trick cmake, actually provided by avogadro-{crystals,fragments,molecules} - patch -d $pkgname-$pkgver -p1 < 6e2e84db.patch # Fix wrong cmake variable name + cd $pkgname + git cherry-pick -n 6e2e84dbb088a40d69117c1836f4306792f57acd # Fix wrong cmake variable name } build() { @@ -51,7 +53,7 @@ build() { ;; esac - cmake -B build -S $pkgname-$pkgver \ + cmake -B build -S $pkgname \ -DCMAKE_INSTALL_PREFIX=/usr \ -DCMAKE_C_FLAGS="$CFLAGS -ffat-lto-objects" \ -DCMAKE_CXX_FLAGS="$CXXFLAGS -ffat-lto-objects" \ @@ -88,5 +90,30 @@ package_avogadrolibs() { "$pkgdir"/usr/include/avogadro/{molequeue,qt*,vtk} \ "$pkgdir"/usr/lib/avogadro2/{scripts,staticplugins} - install -Dm644 $pkgname-$pkgver/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname + install -Dm644 $pkgname/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname +} + +package_avogadrolibs-qt5() { + pkgdesc="Qt 5 modules for Avogadro" + depends=(avogadrolibs + fmt # needed by VTK dependencies + gcc-libs + glew + glibc + libarchive + libglvnd + libmsym + libxcursor # needed by VTK dependencies + openmpi # needed by VTK dependencies + qt5-base + qt5-svg + vtk) + + DESTDIR="$pkgdir" cmake --install build/avogadro/molequeue + DESTDIR="$pkgdir" cmake --install build/avogadro/qtgui + DESTDIR="$pkgdir" cmake --install build/avogadro/qtopengl + DESTDIR="$pkgdir" cmake --install build/avogadro/qtplugins + DESTDIR="$pkgdir" cmake --install build/avogadro/vtk + + install -Dm644 $pkgbase/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname }