diff options
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/dssp/package.py | 18 |
1 files changed, 18 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/dssp/package.py b/var/spack/repos/builtin/packages/dssp/package.py index 1cb566f8ba..2128467714 100644 --- a/var/spack/repos/builtin/packages/dssp/package.py +++ b/var/spack/repos/builtin/packages/dssp/package.py @@ -21,6 +21,16 @@ class Dssp(AutotoolsPackage): depends_on('m4', type='build') depends_on('boost@1.48:') + # pdb data download. + # 1ALK.pdb - PDB (protein data bank) : https://www.rcsb.org/ + resource( + name="pdb_data", + url="https://files.rcsb.org/download/1ALK.pdb", + sha256="99f4cd7ab63b35d64eacc85dc1491af5a03a1a0a89f2c9aadfb705c591b4b6c9", + expand=False, + placement='pdb' + ) + def configure_args(self): args = [ "--with-boost=%s" % self.spec['boost'].prefix] @@ -30,3 +40,11 @@ class Dssp(AutotoolsPackage): def edit(self): makefile = FileFilter(join_path(self.stage.source_path, 'Makefile')) makefile.filter('.*-Werror .*', ' -Wno-error \\') + + @run_after('install') + def cache_test_sources(self): + self.cache_extra_test_sources('pdb') + + def test(self): + pdb_path = join_path(self.install_test_root, 'pdb') + self.run_test('mkdssp', options=['1ALK.pdb', '1alk.dssp'], work_dir=pdb_path) |