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author | Wu Junyu | 2022-12-09 12:36:30 +0900 |
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committer | Wu Junyu | 2022-12-09 12:36:30 +0900 |
commit | 220a6c581f7dd8fa8d0e9d7509cac7d8cd92db1f (patch) | |
tree | 284af30feae05fa5114952acbca29e02dccb7c8c /PKGBUILD | |
parent | 854027588181ab82231e9e12acfcbe85eb5a7dea (diff) | |
download | aur-220a6c581f7dd8fa8d0e9d7509cac7d8cd92db1f.tar.gz |
Update to recent master
Diffstat (limited to 'PKGBUILD')
-rw-r--r-- | PKGBUILD | 42 |
1 files changed, 21 insertions, 21 deletions
@@ -1,36 +1,36 @@ pkgname=psi4-git -pkgver=master +pkgver=1.7 pkgrel=1 -epoch= -pkgdesc="Open-source quantum chemistry" +pkgdesc="Open-Source Quantum Chemistry - an electronic structure package in C++ driven by Python" arch=("x86_64") url="http://psicode.org" license=("GPL") -groups=() -depends=(blas lapack python2 boost python2-numpy) -makedepends=(gcc cmake) +depends=(blas lapack python python-numpy gau2grid eigen + pybind11 python-qcelemental python-qcengine libxc + python-optking python-msgbox python-networkx) +makedepends=(gcc cmake make) checkdepends=() -optdepends=() -provides=() -conflicts=() -replaces=() -backup=() -options=() -install= -changelog= -source=("https://github.com/psi4/psi4/archive/master.zip") -noextract=() +optdepends=(perl python-pytest python-pytest-xdist python-sphinx python-nbsphinx) +provides=(psi4) +source=($pkgname-$pkgver.zip::https://github.com/psi4/psi4/archive/master.zip) md5sums=("SKIP") -validpgpkeys=() + +pkgver() { + cd $pkgname-$pkgver + git describe --long | sed 's/\([^-]*-g\)/r\1/;s/-/./g' +} build() { - cd "$srcdir" - cmake psi4-master -Bbuild -DCMAKE_INSTALL_PREFIX="$pkgdir/usr/" + cmake -S. -Bbuild -DCMAKE_INSTALL_PREFIX="$pkgdir/usr/" cd build - make -j 2 + make -j`getconf _NPROCESSORS_ONLN` +} + +check() { + #test 243 skipped. See https://github.com/psi4/psi4/issues/2828 + ctest -j`getconf _NPROCESSORS_ONLN` -L quick -E 243 } package() { - cd "$srcdir/build" make install } |