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| author | Eisuke Kawashima <e-kwsm@users.noreply.github.com> | 2020-02-05 12:05:19 +0900 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-02-04 21:05:19 -0600 |
| commit | ffdde40f56d48c18ca9c45b0599221ef1dab40a2 (patch) | |
| tree | 0a4f8cfac36fb5e80e640fbc413f231d138c5257 | |
| parent | 29a01f488c53c7d14427505ca9336c25fe2fa993 (diff) | |
| download | spack-ffdde40f56d48c18ca9c45b0599221ef1dab40a2.tar.gz spack-ffdde40f56d48c18ca9c45b0599221ef1dab40a2.tar.bz2 spack-ffdde40f56d48c18ca9c45b0599221ef1dab40a2.tar.xz spack-ffdde40f56d48c18ca9c45b0599221ef1dab40a2.zip | |
Bump Open Babel to 3 (#14738)
| -rw-r--r-- | var/spack/repos/builtin/packages/openbabel/package.py | 23 |
1 files changed, 15 insertions, 8 deletions
diff --git a/var/spack/repos/builtin/packages/openbabel/package.py b/var/spack/repos/builtin/packages/openbabel/package.py index fff2ee2818..c847c9c1ee 100644 --- a/var/spack/repos/builtin/packages/openbabel/package.py +++ b/var/spack/repos/builtin/packages/openbabel/package.py @@ -12,18 +12,24 @@ class Openbabel(CMakePackage): search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.""" - homepage = "http://openbabel.org/wiki/Main_Page" - url = "https://sourceforge.net/projects/openbabel/files/openbabel/2.4.1/openbabel-2.4.1.tar.gz" + homepage = 'https://openbabel.org/wiki/Main_Page' + url = 'https://github.com/openbabel/openbabel/archive/openbabel-3-0-0.tar.gz' + git = 'https://github.com/openbabel/openbabel.git' - version('2.4.1', sha256='204136582cdfe51d792000b20202de8950218d617fd9c6e18cee36706a376dfc') + version('master', branch='master') + version('3.0.0', tag='openbabel-3-0-0') + version('2.4.1', tag='openbabel-2-4-1') + version('2.4.0', tag='openbabel-2-4-0') variant('python', default=True, description='Build Python bindings') extends('python', when='+python') depends_on('python', type=('build', 'run'), when='+python') - depends_on('cmake@2.4.8:', type='build') - depends_on('pkgconfig', type='build') + depends_on('cmake@3.1:', type='build') + depends_on('pkgconfig', type='build') + depends_on('swig@2.0:', type='build', when='+python') + depends_on('boost') depends_on('cairo') # required to support PNG depiction depends_on('eigen@3.0:') # required if using the language bindings depends_on('libxml2') # required to read/write CML files, XML formats @@ -43,6 +49,7 @@ class Openbabel(CMakePackage): args.extend([ '-DPYTHON_BINDINGS=ON', '-DPYTHON_EXECUTABLE={0}'.format(spec['python'].command.path), + '-DRUN_SWIG=ON', ]) else: args.append('-DPYTHON_BINDINGS=OFF') @@ -56,6 +63,6 @@ class Openbabel(CMakePackage): obabel('-:C1=CC=CC=C1Br', '-omol') if '+python' in self.spec: - # Attempt to import the Python modules - for module in ['openbabel', 'pybel']: - python('-c', 'import {0}'.format(module)) + python('-c', 'import openbabel') + if self.spec.version < Version('3.0.0'): + python('-c', 'import pybel') |