From e5fdb9049651f1f996ccd4ad8d79aaa866b0a9c2 Mon Sep 17 00:00:00 2001 From: liam-o-marsh Date: Mon, 25 Mar 2024 16:24:01 +0100 Subject: pyscf: new dependency bounds for pyscf, new version (#43300) --- var/spack/repos/builtin/packages/py-pyscf/package.py | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) (limited to 'var') diff --git a/var/spack/repos/builtin/packages/py-pyscf/package.py b/var/spack/repos/builtin/packages/py-pyscf/package.py index 311193bc6f..2262c825c3 100644 --- a/var/spack/repos/builtin/packages/py-pyscf/package.py +++ b/var/spack/repos/builtin/packages/py-pyscf/package.py @@ -12,12 +12,13 @@ class PyPyscf(PythonPackage): by Python.""" homepage = "https://pyscf.org" - pypi = "pyscf/pyscf-2.2.0.tar.gz" + pypi = "pyscf/pyscf-2.5.0.tar.gz" maintainers("naromero77") license("Apache-2.0") + version("2.5.0", sha256="9596603c914fb3fba853607e96366fa541012faffd59a4ea052f0122dcea5343") version("2.4.0", sha256="af0597c481851b5448e7055c3160aef28dc12a1e0b35dda8279555c0780c0d45") version("2.3.0", sha256="71781de62c25924fd4e93ffeb0451ec0d0b3646fe426c75023f4f519f0f35d85") version("2.2.1", sha256="4ff6851351caadc5dfa543b6b2c5fbd926ded87e3cc39faa0054e1e5090ed69a") @@ -37,8 +38,10 @@ class PyPyscf(PythonPackage): 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")) - depends_on("py-scipy@0.19:", type=("build", "run"), when="@2.1:") + depends_on("py-scipy@0.12:1.10", type=("build", "run"), when="@:2.0") + depends_on("py-scipy@0.19:1.10", type=("build", "run"), when="@2.1:2.2") + # https://github.com/pyscf/pyscf/issues/1783 + depends_on("py-scipy@0.19:", type=("build", "run"), when="@2.3:") 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:") -- cgit v1.2.3-70-g09d2