# Maintainer: Antonio Rojas <arojas@archlinux.org>

pkgbase=avogadrolibs
pkgname=(avogadrolibs avogadrolibs-qt5)
pkgver=1.97.0
pkgrel=7
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)
url='https://www.openchemistry.org/'
license=(custom)
makedepends=(cmake eigen boost python glew spglib hdf5 mmtf-cpp libmsym pybind11 vtk qt5-tools qt5-svg genxrdpattern tbb openmpi)
source=(https://github.com/OpenChemistry/avogadrolibs/archive/$pkgver/$pkgname-$pkgver.tar.gz
        https://github.com/OpenChemistry/avogadrolibs/commit/0db79eb1.patch)
sha256sums=('46641504a1808c5ff6fb7d66be48d866848203899025fd386cc6e3dd5d9ec342'
            'd7e6f2ba9a123c52313df31763dc9cb043a41ca64bb0dc695fb8af77716ed70a')

prepare() {
  mkdir crystals molecules # Dummy dirs to trick cmake, actually provided by avogadro-molecules and avogadro-crystals
  patch -d $pkgname-$pkgver -p1 < 0db79eb1.patch # Fix build
}

build() {
  cmake -B build -S $pkgname-$pkgver \
    -DCMAKE_INSTALL_PREFIX=/usr \
    -DCMAKE_C_FLAGS="$CFLAGS -ffat-lto-objects" \
    -DCMAKE_CXX_FLAGS="$CXXFLAGS -ffat-lto-objects" \
    -DENABLE_TRANSLATIONS=ON \
    -DUSE_HDF5=ON \
    -DUSE_VTK=ON \
    -DUSE_PYTHON=ON \
    -DUSE_SYSTEM_GENXRDPATTERN=ON
  cmake --build build
}

package_avogadrolibs() {
  depends=(molequeue glew spglib hdf5 avogadro-molecules avogadro-crystals)
  optdepends=('avogadrolibs-qt5: For the VTK and Qt plugins')

  DESTDIR="$pkgdir" cmake --install build
  rm -r "$pkgdir"/usr/lib/libAvogadroQt* \
        "$pkgdir"/usr/lib/libAvogadroMoleQueue* \
        "$pkgdir"/usr/lib/libAvogadroVtk* \
        "$pkgdir"/usr/include/avogadro/{molequeue,qt*,vtk} \
        "$pkgdir"/usr/lib/avogadro2/{scripts,staticplugins}

  install -Dm644 $pkgname-$pkgver/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname

# Move python module to the correct place
  local site_packages=$(python -c "import site; print(site.getsitepackages()[0])")
  mkdir -p "$pkgdir${site_packages}"
  mv "$pkgdir"/usr/lib/avogadro "$pkgdir${site_packages}"
}

package_avogadrolibs-qt5() {
  pkgdesc="Qt 5 modules for Avogadro"
  depends=(qt5-svg libarchive libmsym avogadrolibs vtk openmpi fmt libxcursor)

  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 $pkgbase-$pkgver/LICENSE -t "$pkgdir"/usr/share/licenses/$pkgname
}