From 5be40f1a5a0fdf7c37b74a8ecdc21cf1d613cdd0 Mon Sep 17 00:00:00 2001 From: rfbgo <109985755+rfbgo@users.noreply.github.com> Date: Mon, 6 Jan 2025 12:44:23 -0700 Subject: [PATCH] py-espresso: add v4.1.0 -> v4.2.2 (#47864) Co-authored-by: Massimiliano Culpo --- .../builtin/packages/py-espresso/package.py | 31 +++++++++++++++++-- 1 file changed, 28 insertions(+), 3 deletions(-) diff --git a/var/spack/repos/builtin/packages/py-espresso/package.py b/var/spack/repos/builtin/packages/py-espresso/package.py index 04d85640e0e..1f99ec6f45c 100644 --- a/var/spack/repos/builtin/packages/py-espresso/package.py +++ b/var/spack/repos/builtin/packages/py-espresso/package.py @@ -26,15 +26,28 @@ class PyEspresso(CMakePackage): license("GPL-3.0-only") version("develop", branch="python") + version("4.2.2", sha256="2bc02f91632b0030f1203759768bd718bd8a0005f72696980b12331b4bfa0d76") + version("4.2.1", sha256="d74b46438b0d013cac35602e28f3530686446a3a307f6771baf15395066bdad5") + version("4.2.0", sha256="080bbf6bec5456192ce4e1bc0ddebb9e8735db723d3062ec87154f1ac411aaab") + + version("4.1.4", sha256="c1b68de63755475c5eb3ae8117d8c6d96c8ac36cc0f46dd44417a8e7ebe9242c") + version("4.1.3", sha256="13dd998f71547c6c979a33d918b7f83e1a0e1c5f2bf2ddeeb0d1e99a3dcd6008") + version("4.1.2", sha256="00bc8e4cab8fc8f56d18978970b55f09168521ed5898a92769986f2157a81a2c") + version("4.1.1", sha256="61f19f17469522d4aa480ff5254217668ba713589c6b74576e6305920d688f90") + version("4.1.0", sha256="83cd5dd50c022d028697ff3e889005e4881100ed8cd56b558978f23d0b590c85") + version("4.0.2", sha256="89878ab44a58e90b69d56368e961b8ca13d9307f8d4b282967a1f3071a62c740") version("4.0.1", sha256="17b7268eeba652a77f861bc534cdd05d206e7641d203a9dd5029b44bd422304b") version("4.0.0", sha256="8e128847447eebd843de24be9b4ad14aa19c028ae48879a5a4535a9683836e6b") - depends_on("cxx", type="build") # generated - # espressomd/espresso#2244 merge upstream patch("2244.patch", when="@4.0.0") + # Support for modern gcc was fixed in 4.2 (https://github.com/espressomd/espresso/pull/3990) + conflicts("%gcc@11:", when="@:4.1") + + variant("hdf5", default=True, description="Enable HDF5 backend") + depends_on("cmake@3.0:", type="build") depends_on("mpi") depends_on("boost+serialization+filesystem+system+python+mpi") @@ -47,4 +60,16 @@ class PyEspresso(CMakePackage): depends_on("py-cython@0.23:", type="build") depends_on("py-numpy", type=("build", "run")) depends_on("fftw") - depends_on("hdf5+hl+mpi") + depends_on("hdf5+hl+mpi", when="+hdf5") + + def cmake_args(self): + args = [] + + if self.spec.satisfies("@4.0:4.1"): + # 4.1 defaults CUDA options to ON, which this package does not currently support + # Ideally a future version of the package would add proper CUDA support. + args.append(self.define("WITH_CUDA", False)) + + args.append(self.define_from_variant("WITH_HDF5", "hdf5")) + + return args