Add pyedr and panedr (#35576)

* add pyedr

* black

* add panedr

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

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

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

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

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

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

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

---------

Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>

var/spack/repos/builtin/packages/py-panedr/package.py

@@ -0,0 +1,26 @@
+# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack.package import *
+
+
+class PyPanedr(PythonPackage):
+    """Panedr uses the Pyedr library to read a Gromacs EDR binary energy XDR file and returns
+    its contents as a pandas dataframe"""
+
+    homepage = "https://github.com/MDAnalysis/panedr"
+    pypi = "panedr/panedr-0.7.1.tar.gz"
+
+    maintainers("RMeli")
+
+    version("0.7.1", sha256="64c74863f72d51729ac5cb1e2dbb18747f7137588990c308ef8ca120fbf2ddd4")
+
+    # PyEDR is released together with PanEDR, therefore versions should match
+    depends_on("py-pyedr@0.7.1", type=("build", "run"), when="@0.7.1")
+
+    depends_on("py-pandas", type=("build", "run"))
+    depends_on("py-pbr", type=("build", "run"))
+
+    depends_on("py-setuptools", type="build")

var/spack/repos/builtin/packages/py-pyedr/package.py

@@ -0,0 +1,27 @@
+# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack.package import *
+
+
+class PyPyedr(PythonPackage):
+    """Pyedr provides a means of reading a Gromacs EDR binary XDR file and return
+    its contents as a dictionary of NumPy arrays"""
+
+    homepage = "https://github.com/MDAnalysis/panedr"
+    pypi = "pyedr/pyedr-0.7.1.tar.gz"
+
+    maintainers("RMeli")
+
+    version("0.7.1", sha256="ad7ccdeb739399acd11a25f2d2413ebb46a54223059a2b902ac604d29fabd767")
+
+    depends_on("python@3.6:", type=("build", "run"))
+
+    # Minimal NumPy version only specified in requirements.txt
+    depends_on("py-numpy@1.19.0:", type=("build", "run"))
+    depends_on("py-pbr", type=("build", "run"))
+    depends_on("py-tqdm", type=("build", "run"))
+
+    depends_on("py-setuptools", type="build")