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py-espresso: add v4.1.0 -> v4.2.2 (#47864)

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Co-authored-by: Massimiliano Culpo <massimiliano.culpo@gmail.com>
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rfbgo 2025-01-06 12:44:23 -07:00 committed by GitHub
parent aa0ab3b38b
commit 5be40f1a5a
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1 changed files with 28 additions and 3 deletions
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var/spack/repos/builtin/packages/py-espresso/package.py
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@ -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