py-libEnsemble: add v1.0.0 (#40203)

* py-libEnsemble: add v1.0.0

* Add version ranges for deps

* Add comments to variants

* Put when before type

* Fix line lengths

* Re-format

* Update var/spack/repos/builtin/packages/py-libensemble/package.py

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>

* Update var/spack/repos/builtin/packages/py-libensemble/package.py

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>

---------

Co-authored-by: Manuela Kuhn <36827019+manuelakuhn@users.noreply.github.com>

1 files changed, 22 insertions, 15 deletions

diff --git a/var/spack/repos/builtin/packages/py-libensemble/package.py b/var/spack/repos/builtin/packages/py-libensemble/package.py
index 19a53d6520..d47a3d68fb 100644
--- a/var/spack/repos/builtin/packages/py-libensemble/package.py
+++ b/var/spack/repos/builtin/packages/py-libensemble/package.py
@@ -12,13 +12,14 @@ class PyLibensemble(PythonPackage):
     """Library for managing ensemble-like collections of computations."""
 
     homepage = "https://libensemble.readthedocs.io"
-    pypi = "libensemble/libensemble-0.10.2.tar.gz"
+    pypi = "libensemble/libensemble-1.0.0.tar.gz"
     git = "https://github.com/Libensemble/libensemble.git"
     maintainers("shuds13", "jlnav")
 
     tags = ["e4s"]
 
     version("develop", branch="develop")
+    version("1.0.0", sha256="b164e044f16f15b68fd565684ad8ce876c93aaeb84e5078f4ea2a29684b110ca")
     version("0.10.2", sha256="ef8dfe5d233dcae2636a3d6aa38f3c2ad0f42c65bd38f664e99b3e63b9f86622")
     version("0.10.1", sha256="56ae42ec9a28d3df8f46bdf7d016db9526200e9df2a28d849902e3c44fe5c1ba")
     version("0.10.0", sha256="f800f38d02def526f1d2a325710d01fdd3637cd1e33a9a083a3cf4a7f419a726")
@@ -40,7 +41,9 @@ class PyLibensemble(PythonPackage):
     version("0.2.0", sha256="ecac7275d4d0f4a5e497e5c9ef2cd998da82b2c020a0fb87546eeea262f495ff")
     version("0.1.0", sha256="0b27c59ae80f7af8b1bee92fcf2eb6c9a8fd3494bf2eb6b3ea17a7c03d3726bb")
 
-    variant("mpi", default=True, description="Install with MPI")
+    variant("mpi", default=True, description="Install with MPI")  # Optional communications method
+
+    # The following variants are for optional built-in generators
     variant("scipy", default=False, description="Install with scipy")
     variant("petsc4py", default=False, description="Install with petsc4py")
     variant("nlopt", default=False, description="Install with nlopt")
@@ -48,24 +51,28 @@ class PyLibensemble(PythonPackage):
     variant("deap", default=False, description="Install with DEAP")
     variant("tasmanian", default=False, description="Install with tasmanian")
 
+    depends_on("py-numpy@1.21:", when="@1:", type=("build", "run"))
     depends_on("py-numpy", type=("build", "run"))
-    depends_on("py-psutil", type=("build", "run"), when="@0.7.1:")
+    depends_on("py-psutil@5.9.4:", when="@1:", type=("build", "run"))
+    depends_on("py-psutil", when="@0.7.1:", type=("build", "run"))
     depends_on("py-setuptools", when="@0.10.2:", type="build")
     depends_on("py-setuptools", when="@:0.10.1", type=("build", "run"))
-    depends_on("py-pydantic@:2", type=("build", "run"), when="@0.10:")
-    depends_on("py-tomli", type=("build", "run"), when="@0.10:")
-    depends_on("py-pyyaml", type=("build", "run"), when="@0.10:")
+    depends_on("py-pydantic@:1", when="@0.10:", type=("build", "run"))
+    depends_on("py-tomli@1.2.1:", when="@1:", type=("build", "run"))
+    depends_on("py-tomli", when="@0.10:", type=("build", "run"))
+    depends_on("py-pyyaml@6.0:", when="@1:", type=("build", "run"))
+    depends_on("py-pyyaml", when="@0.10:", type=("build", "run"))
     depends_on("mpi", when="@:0.4.1")
     depends_on("mpi", when="+mpi")
-    depends_on("py-mpi4py@2.0:", type=("build", "run"), when="@:0.4.1")
-    depends_on("py-mpi4py@2.0:", type=("build", "run"), when="+mpi")
-    depends_on("py-scipy", type=("build", "run"), when="+scipy")
-    depends_on("py-petsc4py", type=("build", "run"), when="+petsc4py")
-    depends_on("py-petsc4py@main", type=("build", "run"), when="@develop+petsc4py")
-    depends_on("nlopt", type=("build", "run"), when="+nlopt")
-    depends_on("py-mpmath", type=("build", "run"), when="+mpmath")
-    depends_on("py-deap", type=("build", "run"), when="+deap")
-    depends_on("tasmanian+python", type=("build", "run"), when="+tasmanian")
+    depends_on("py-mpi4py@2.0:", when="@:0.4.1", type=("build", "run"))
+    depends_on("py-mpi4py@2.0:", when="+mpi", type=("build", "run"))
+    depends_on("py-scipy", when="+scipy", type=("build", "run"))
+    depends_on("py-petsc4py", when="+petsc4py", type=("build", "run"))
+    depends_on("py-petsc4py@main", when="@develop+petsc4py", type=("build", "run"))
+    depends_on("nlopt", when="+nlopt", type=("build", "run"))
+    depends_on("py-mpmath", when="+mpmath", type=("build", "run"))
+    depends_on("py-deap", when="+deap", type=("build", "run"))
+    depends_on("tasmanian+python", when="+tasmanian", type=("build", "run"))
     conflicts("~mpi", when="@:0.4.1")
 
     @run_after("install")