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https://github.com/LCPQ/quantum_package
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First travis module
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6a91e63cf3
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@ -12,6 +12,7 @@ before_script:
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script:
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script:
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- ./configure --production ./config/gfortran.cfg
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- ./configure --production ./config/gfortran.cfg
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- source ./quantum_package.rc
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- source ./quantum_package.rc
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- qp_install_module.py install Full_CI Hartree_Fock
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- ninja
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- ninja
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- cd ocaml ; make ; cd -
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- cd ocaml ; make ; cd -
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- cd testing_no_regression ; ./unit_test.py
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- cd testing_no_regression ; ./unit_test.py
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@ -1 +0,0 @@
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/home/razoa/quantum_package/bulk/Hartree_Fock
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@ -517,7 +517,7 @@ def get_binaries(path_module):
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return []
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return []
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elif "No such file or directory" not in stdout:
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elif "No such file or directory" not in stdout:
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l_bin = [i.replace(".irp.f", "", 1) for i in stdout.split()]
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l_bin = [i.replace(".irp.f", "", 1) for i in stdout.split()]
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return [Path(bin_, os.path.basename(bin_)) for bin_ in l_bin]
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return [Path(os.path.realpath(bin_), os.path.basename(bin_)) for bin_ in l_bin]
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else:
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else:
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return []
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return []
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@ -540,7 +540,6 @@ def get_dict_binaries(l_module, mode="production"):
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# Ake module => binaries generated
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# Ake module => binaries generated
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for module in l_module:
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for module in l_module:
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l_binaries = get_binaries(module)
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l_binaries = get_binaries(module)
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if l_binaries:
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if l_binaries:
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d_binaries[module] += l_binaries
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d_binaries[module] += l_binaries
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@ -561,8 +560,8 @@ def get_dict_binaries(l_module, mode="production"):
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l_binaries = []
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l_binaries = []
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for binaries in d_binaries[module]:
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for binaries in d_binaries[module]:
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p_abs = join(QP_ROOT_SRC, root_module.rel, module.rel,
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p_abs = real_join(QP_ROOT_SRC, root_module.rel)
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binaries.rel)
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p_abs = join(p_abs, module.rel, binaries.rel)
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p_rel = binaries.rel
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p_rel = binaries.rel
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p = Path(p_abs, p_rel)
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p = Path(p_abs, p_rel)
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l_binaries.append(p)
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l_binaries.append(p)
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@ -1,8 +1,8 @@
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#!/usr/bin/env python
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#!/usr/bin/env python
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# -*- coding: utf-8 -*-
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# -*- coding: utf-8 -*-
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"""
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"""
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Usage: qp_install_module.py list [--installed|--avalaible-local|--avalaible-remote]
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Usage: qp_install_module.py list (--installed|--avalaible-local|--avalaible-remote)
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qp_install_module.py install -n <name>
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qp_install_module.py install <name>...
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qp_install_module.py create -n <name> [<children_module>...]
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qp_install_module.py create -n <name> [<children_module>...]
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qp_install_module.py download -n <name> [<path_folder>...]
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qp_install_module.py download -n <name> [<path_folder>...]
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@ -64,18 +64,19 @@ if __name__ == '__main__':
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if arguments["--installed"]:
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if arguments["--installed"]:
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l_repository = [qp_root_src]
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l_repository = [qp_root_src]
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if arguments["--avalaible-local"]:
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l_repository = [qp_root_plugin]
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m_instance = ModuleHandler(l_repository)
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m_instance = ModuleHandler(l_repository)
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for module in m_instance.l_module:
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for module in m_instance.l_module:
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print module
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print "* {0}".format(module)
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elif arguments["create"]:
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elif arguments["create"]:
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m_instance = ModuleHandler(l_repository)
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m_instance = ModuleHandler([qp_root_src])
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l_children = arguments["<children_module>"]
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l_children = arguments["<children_module>"]
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qp_root = os.environ['QP_ROOT']
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path = os.path.join(qp_root_src, arguments["<name>"])
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path = os.path.join(qp_root_src, arguments["<name>"])
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print "You will create the module:"
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print "You will create the module:"
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@ -100,33 +101,48 @@ if __name__ == '__main__':
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save_new_module(path, l_child_reduce)
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save_new_module(path, l_child_reduce)
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elif arguments["download"]:
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elif arguments["download"]:
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pass
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d_local = get_dict_child([qp_root_src])
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# d_local = get_dict_child([qp_root_src])
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d_remote = get_dict_child(arguments["<path_folder>"])
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# d_remote = get_dict_child(arguments["<path_folder>"])
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#
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d_child = d_local.copy()
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# d_child = d_local.copy()
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d_child.update(d_remote)
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# d_child.update(d_remote)
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#
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name = arguments["<name>"]
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# name = arguments["<name>"]
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l_module_descendant = get_l_module_descendant(d_child, [name])
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# l_module_descendant = get_l_module_descendant(d_child, [name])
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#
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for module in l_module_descendant:
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# for module in l_module_descendant:
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if module not in d_local:
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# if module not in d_local:
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print "you need to install", module
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# print "you need to install", module
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elif arguments["install"]:
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elif arguments["install"]:
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d_local = get_dict_child([qp_root_src])
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d_local = get_dict_child([qp_root_src])
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d_plugin = get_dict_child([qp_root_plugin])
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d_plugin = get_dict_child([qp_root_plugin])
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d_child = d_local.copy()
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d_child = d_local.copy()
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d_child.update(d_plugin)
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d_child.update(d_plugin)
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name = arguments["<name>"]
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l_name = arguments["<name>"]
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l_module_descendant = get_l_module_descendant(d_child, [name])
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module_to_cp = [module for module in l_module_descendant if module not in d_local]
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for name in l_name:
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if name in d_local:
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print "{0} Is already installed".format(name)
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print "For ln -s by hand the module"
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l_module_descendant = get_l_module_descendant(d_child, l_name)
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print module_to_cp
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l_module_to_cp = [module for module in l_module_descendant if module not in d_local]
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if l_module_to_cp:
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print "You will need all these modules"
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print l_module_to_cp
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print "Installation...",
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for module_to_cp in l_module_to_cp:
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src = os.path.join(qp_root_plugin, module_to_cp)
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des = os.path.join(qp_root_src, module_to_cp)
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os.symlink(src, des)
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print "Done"
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print "You can now compile as usual"
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