1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
|
# 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.package import *
class Openrasmol(MakefilePackage):
"""RasMol is a molecular graphics program intended for the
visualisation of proteins, nucleic acids and small molecules."""
homepage = "http://www.openrasmol.org/"
url = "https://sourceforge.net/projects/openrasmol/files/RasMol/RasMol_2.7.5/RasMol-2.7.5.2.tar.gz"
version('2.7.5.2', sha256='b975e6e69d5c6b161a81f04840945d2f220ac626245c61bcc6c56181b73a5718')
depends_on('imake', type='build')
depends_on('libxext', type='link')
depends_on('libxi', type='link')
depends_on('cbflib@0.9.2', type='link')
depends_on('cqrlib@1.1.2', type='link')
depends_on('cvector@1.0.3', type='link')
depends_on('neartree@3.1', type='link')
depends_on('xforms@1.0.91', type='link')
patch('rasmol_noqa.patch')
patch('rasmol_help.patch')
def edit(self, spec, prefix):
with working_dir('src'):
# Imakefile
bash = which('bash')
bash('./rasmol_build_options.sh')
# host.def
with open('host.def', 'w') as f:
f.write('#ifdef AfterVendorCF\n')
f.write('#define CcCmd {0}\n'.format(spack_cc))
f.write('#endif\n')
def setup_build_environment(self, env):
env.set('XFORMSLIB_DIR', self.spec['xforms'].prefix)
env.set('CBFLIB_DIR', self.spec['cbflib'].prefix)
env.set('CQRLIB_DIR', self.spec['cqrlib'].prefix)
env.set('CVECTOR_DIR', self.spec['cvector'].prefix)
env.set('NEARTREE_DIR', self.spec['neartree'].prefix)
def build(self, spec, prefix):
with working_dir('src'):
bash = which('bash')
bash('./build_all.sh')
def install(self, spec, prefix):
install_tree('./data', prefix.sample)
install_tree('./doc', prefix.doc)
with working_dir('src'):
bash = which('bash')
bash('./rasmol_install.sh', '--prefix={0}'.format(prefix))
def test(self):
testdir = self.test_suite.current_test_data_dir
opts = []
opts.append('-insecure')
opts.append('-script')
opts.append(join_path(testdir, 'test.rsc'))
opts.append(join_path(self.prefix.sample, '1crn.pdb'))
self.run_test('rasmol', options=opts)
|
