From 08fa0c9d46fe1d59e5c223736be2145b14b468fe Mon Sep 17 00:00:00 2001 From: "Paul R. C. Kent" Date: Tue, 5 Jul 2022 03:14:06 -0400 Subject: pyscf: add v2.0.1 (#31342) --- var/spack/repos/builtin/packages/py-pyscf/package.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/var/spack/repos/builtin/packages/py-pyscf/package.py b/var/spack/repos/builtin/packages/py-pyscf/package.py index 3561dac42e..fee60b356e 100644 --- a/var/spack/repos/builtin/packages/py-pyscf/package.py +++ b/var/spack/repos/builtin/packages/py-pyscf/package.py @@ -16,6 +16,7 @@ class PyPyscf(PythonPackage): maintainers = ['naromero77'] + version('2.0.1', tag='v2.0.1') version('1.7.5', tag='v1.7.5') version('1.7.3', tag='v1.7.3') @@ -24,8 +25,12 @@ class PyPyscf(PythonPackage): depends_on('python@2.6:', type=('build', 'run')) depends_on('py-setuptools', type='build') depends_on('py-numpy@1.8.0:', type=('build', 'run')) + depends_on('py-numpy@1.13.0:', type=('build', 'run'), when='@2:') + conflicts('py-numpy@1.16:1.17', when='@2:') depends_on('py-scipy@0.12:', type=('build', 'run')) + conflicts('py-scipy@1.5.0:1.5.1', when='@2:') depends_on('py-h5py@2.3.0:', type=('build', 'run')) + depends_on('py-h5py@2.7.0:', type=('build', 'run'), when='@2:') depends_on('blas') depends_on('libcint+coulomb_erf+f12') depends_on('libxc') -- cgit v1.2.3-70-g09d2