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Update for py-gmxapi for 0.4.1. (#37834)

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* Update for py-gmxapi for 0.4.1.

* Note 0.4.1 hash from PyPI.
* Note relaxed dependencies for future versions.

* Update var/spack/repos/builtin/packages/py-gmxapi/package.py
This commit is contained in:
M. Eric Irrgang 2023-05-24 22:03:10 -05:00 committed by GitHub
parent ee2725762f
commit 06f9bcf734
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1 changed files with 3 additions and 2 deletions
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var/spack/repos/builtin/packages/py-gmxapi/package.py
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@ -19,6 +19,7 @@ class PyGmxapi(PythonPackage):
maintainers("eirrgang", "peterkasson") maintainers("eirrgang", "peterkasson")
pypi = "gmxapi/gmxapi-0.4.0.tar.gz" pypi = "gmxapi/gmxapi-0.4.0.tar.gz"
version("0.4.1", sha256="cc7a2e509ab8a59c187d388dcfd21ea78b785c3b355149b1818085f34dbda62a")
version("0.4.0", sha256="7fd58e6a4b1391043379e8ba55555ebeba255c5b394f5df9d676e6a5571d7eba") version("0.4.0", sha256="7fd58e6a4b1391043379e8ba55555ebeba255c5b394f5df9d676e6a5571d7eba")
depends_on("gromacs@2022.1:~mdrun_only+shared") depends_on("gromacs@2022.1:~mdrun_only+shared")
@ -30,9 +31,9 @@ class PyGmxapi(PythonPackage):
depends_on("py-numpy@1.8:", type=("build", "run")) depends_on("py-numpy@1.8:", type=("build", "run"))
depends_on("py-setuptools@42:", type="build") depends_on("py-setuptools@42:", type="build")
depends_on("py-packaging", type=("build", "run")) depends_on("py-packaging", type=("build", "run"))
depends_on("py-pybind11@2.6:", type=("build", "run")) depends_on("py-pybind11@2.6:", type="build")
depends_on("py-pybind11@2.6:", when="@:0.4", type=("build", "run"))
depends_on("py-pytest@4.6:", type="test") depends_on("py-pytest@4.6:", type="test")
depends_on("py-wheel", type="build")
def setup_build_environment(self, env): def setup_build_environment(self, env):
env.set("GROMACS_DIR", self.spec["gromacs"].prefix) env.set("GROMACS_DIR", self.spec["gromacs"].prefix)