diff --git a/packages/biobb-md/.gitkeep b/packages/biobb-md/.gitkeep new file mode 100644 index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391 diff --git a/packages/biobb-md/package.py b/packages/biobb-md/package.py new file mode 100644 index 0000000000000000000000000000000000000000..4453fb36f1aaa21bb2a5b6ce0cec969d8cb1b355 --- /dev/null +++ b/packages/biobb-md/package.py @@ -0,0 +1,17 @@ +from spack import * + +class BiobbMd(PythonPackage): + """Biobb_md is the Biobb module collection to perform molecular + dynamics simulations""" + + # Homepage and download url + homepage = "https://github.com/bioexcel/biobb_md" + git = 'https://github.com/bioexcel/biobb_md.git' + + # Versions + version('3.7.1', branch='master') + + # Dependencies + depends_on('biobb-common') + depends_on('python@3.7:', type=('build', 'run')) + depends_on('gromacs')