Merge branch 'mmcif-pdbx' into 'master'

Introduction of the mmcif-pdbx Python library

See merge request technical-coordination/project-internal/devops/platform/ebrains-spack-builds!145

packages/py-mmcif-pdbx/package.py

+# Copyright 2013-2022 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 import *
+
+
+class MmcifPdbx(PythonPackage):
+    """
+    This is yet another PyPI package for
+    http://mmcif.wwpdb.org/dbx-mmcif-home-page.html.
+    It emphasizes a simple and pure Python interface
+    to basic mmCIF functionality.
+    """
+
+    # Url for the package's homepage.
+    homepage = "https://mmcif-pdbx.readthedocs.io/"
+    pypi     = "mmcif-pdbx/mmcif-pdbx-2.0.1.tar.gz"
+
+    # List of GitHub accounts to
+    # notify when the package is updated.
+    maintainers = ['richtesn', 'thielblz']
+
+    version('2.0.1', sha256='a1f20cf35f92916160ae066f510cce9a0c21a630d064dafce545ba0cf47c9280')

spack.yaml

@@ -53,6 +53,7 @@ spack:
     - py-lfpy@2.2.6
     - py-elephant
     - py-frites
+    - py-mmcif-pdbx
     #- py-snudda
     #- biobb-common
     #- biobb-md