diff --git a/packages/py-mmcif-pdbx/package.py b/packages/py-mmcif-pdbx/package.py new file mode 100644 index 0000000000000000000000000000000000000000..1b23d1c5eba0b6d17897c7f46138c57ce40fa101 --- /dev/null +++ b/packages/py-mmcif-pdbx/package.py @@ -0,0 +1,26 @@ +# 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') diff --git a/spack.yaml b/spack.yaml index a0cd85df6b0c5196845cbe4a9fbf3aee555d54ea..1628103dfe0a74be688b050edaefe4e3057951db 100644 --- a/spack.yaml +++ b/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