diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/py-pmw-patched/package.py | 14 | ||||
| -rw-r--r-- | var/spack/repos/builtin/packages/py-pymol/package.py | 58 |
2 files changed, 50 insertions, 22 deletions
diff --git a/var/spack/repos/builtin/packages/py-pmw-patched/package.py b/var/spack/repos/builtin/packages/py-pmw-patched/package.py new file mode 100644 index 0000000000..f17bf63452 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-pmw-patched/package.py @@ -0,0 +1,14 @@ +# Copyright 2013-2021 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) + + +class PyPmwPatched(PythonPackage): + """Schrodinger's Fork of Python megawidgets with essential patches applied. + Pmw is a toolkit for building high-level compound widgets, or + megawidgets, constructed using other widgets as component parts.""" + homepage = "https://github.com/schrodinger/pmw-patched" + git = "https://github.com/schrodinger/pmw-patched" + + version('02-10-2020', commit='8bedfc8747e7757c1048bc5e11899d1163717a43') diff --git a/var/spack/repos/builtin/packages/py-pymol/package.py b/var/spack/repos/builtin/packages/py-pymol/package.py index 557caf7692..f62e0c76ab 100644 --- a/var/spack/repos/builtin/packages/py-pymol/package.py +++ b/var/spack/repos/builtin/packages/py-pymol/package.py @@ -15,29 +15,43 @@ class PyPymol(PythonPackage): homepage = "https://pymol.org" url = "https://github.com/schrodinger/pymol-open-source/archive/v2.4.0.tar.gz" + version('2.5.0', sha256='aa828bf5719bd9a14510118a93182a6e0cadc03a574ba1e327e1e9780a0e80b3') version('2.4.0', sha256='5ede4ce2e8f53713c5ee64f5905b2d29bf01e4391da7e536ce8909d6b9116581') version('2.3.0', sha256='62aa21fafd1db805c876f89466e47513809f8198395e1f00a5f5cc40d6f40ed0') - depends_on('python+tkinter', type=('build', 'run')) - depends_on('freetype', type=('build', 'run')) - depends_on('glew', type=('build')) - depends_on('glm', type=('build')) - depends_on('py-numpy', type=('build', 'run')) - depends_on('tcsh', type=('build', 'run')) + depends_on('python+tkinter@2.7:', type=('build', 'run'), when='@2.3.0:2.4.0') + depends_on('python+tkinter@3.6:', type=('build', 'run'), when='@2.5.0:') + depends_on('gl') + depends_on('glew') + depends_on('libpng') + depends_on('freetype') + depends_on('glm') + depends_on('libmmtf-cpp') + depends_on('msgpack-c@2.1.5:') + depends_on('netcdf-cxx4') + depends_on('libxml2') + depends_on('py-pmw-patched', type=('build', 'run')) depends_on('py-pyqt5', type=('build', 'run')) - depends_on('py-pmw', type=('build', 'run')) - depends_on('libmmtf-cpp', type=('build', 'run', 'link')) - depends_on('msgpack-c', type=('build', 'run')) - depends_on('libpng@1.5.13', type=('build', 'run')) - - def setup_build_environment(self, env): - include = [] - library = [] - for dep in self.spec.dependencies(deptype='link'): - query = self.spec[dep.name] - include.extend(query.headers.directories) - - env.set('CPATH', ':'.join(include)) - env.set('LIBRARY_PATH', ':'.join(library)) - env.set('PREFIX_PATH', self.spec['libpng'].prefix) - env.prepend_path('PREFIX_PATH', self.spec['py-pyqt5'].prefix) + depends_on('py-numpy', type=('build', 'run')) + + def install_args(self, spec, prefix): + args = super(PyPymol, self).install_args(spec, prefix) + args.append('--no-launcher') + return args + + @run_after('install') + def install_launcher(self): + binpath = self.prefix.bin + mkdirp(self.prefix.bin) + fname = join_path(binpath, 'pymol') + script = join_path(self.prefix, + self.spec['python'].package.site_packages_dir, + 'pymol', + '__init__.py') + + shebang = '#!/bin/sh\n' + fdata = 'exec {0} {1} \"$@\"'.format(self.spec['python'].command, + script) + with open(fname, 'w') as new: + new.write(shebang + fdata) + set_executable(fname) |