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May 2nd, 2021
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  1. # Maintainer: Dan Maftei <dan.maftei@chem.uaic.ro>
  2.  
  3. _pkgname=pyscf
  4. pkgname=python-$_pkgname
  5. pkgver=1.7.6
  6. pkgrel=1
  7. pkgdesc="Python module for quantum chemistry"
  8. arch=('x86_64')
  9. url="https://github.com/pyscf/pyscf"
  10. license=('BSD')
  11. depends=('python-scipy' 'python-h5py' 'libcint' 'libxc')
  12. makedepends=('cmake')
  13. conflicts=($pkgname-git)
  14. source=("$pkgname-$pkgver.tar.gz::$url/archive/v$pkgver.tar.gz")
  15. sha256sums=('1805819557cf78fb5938a2141a429c74dabb3ba664b60420032584d7a876c2ab')
  16.  
  17. build() {
  18.   cd "$srcdir/$_pkgname-$pkgver"
  19.   PYSCF_INC_DIR=/usr python setup.py build
  20. }
  21.  
  22. package() {
  23.   cd "$srcdir/$_pkgname-$pkgver"
  24.   PYSCF_INC_DIR=/usr python setup.py install --root="$pkgdir" -O1 --skip-build
  25.   install -Dm755 LICENSE -t "$pkgdir/usr/share/licenses/$pkgname/LICENSE"
  26. }
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