mirror of
https://github.com/LCPQ/quantum_package
synced 2025-01-03 10:05:57 +01:00
qp_install_module -> qp_module
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@ -27,7 +27,7 @@ python:
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script:
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- ./configure --production ./config/gfortran.cfg
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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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- qp_module.py install Full_CI Hartree_Fock
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- ninja
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- cd ocaml ; make ; cd -
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- cd testing_no_regression ; ./unit_test.py
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16
README.md
16
README.md
@ -18,6 +18,8 @@ For more information, you can visit the [wiki of the project](http://github.com/
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* Python >= 2.6
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* GNU make
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* Bash
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* Blast/Lapack
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* unzip
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## Standard installation
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@ -51,19 +53,17 @@ This file contains all the environment variables needed by the quantum package b
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### Optional) Add some new module
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Usage: qp_install_module.py list (--installed|--avalaible-local|--avalaible-remote)
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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 download -n <name> [<path_folder>...]
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Usage: qp_module.py list (--installed|--avalaible-local|--avalaible-remote)
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qp_module.py install <name>...
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qp_module.py create -n <name> [<children_module>...]
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qp_module.py download -n <name> [<path_folder>...]
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For exemple you can type :
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`qp_install_module.py install Full_CI`
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`qp_module.py install Full_CI`
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### 3) Compiling the fortran
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ninja
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Just type `ninja` if you are in `$QP_ROOT` (or `ninja -f $QP_ROOT/build.ninja`
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elsewhere). The compilation will take approximately 3 min.
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Just type `ninja` if you are in `$QP_ROOT` (or `ninja -f $QP_ROOT/build.ninja` elsewhere). The compilation will take approximately 3 min.
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If you have set the `--developement` flag in a specific module you can go in
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the corresponding module directory and run `ninja` to build only this module.
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@ -909,7 +909,7 @@ if __name__ == "__main__":
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if module not in d_binaries:
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l_msg = ["{0} is a root module but does not contain a main file.",
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"- Create it in {0}",
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"- Or delete {0} `qp_install_module.py uninstall {0}`",
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"- Or delete {0} `qp_module.py uninstall {0}`",
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"- Or install a module that needs {0} with a main "]
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print "\n".join(l_msg).format(module.rel)
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@ -2,11 +2,11 @@
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# -*- coding: utf-8 -*-
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"""
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Usage:
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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 install <name>...
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qp_install_module.py list (--installed | --available-local)
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qp_install_module.py uninstall <name>...
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qp_module.py create -n <name> [<children_module>...]
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qp_module.py download -n <name> [<path_folder>...]
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qp_module.py install <name>...
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qp_module.py list (--installed | --available-local)
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qp_module.py uninstall <name>...
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