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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 13:53:49 +01:00
This commit is contained in:
Anthony Scemama 2018-04-30 18:43:13 +02:00
parent 733cbc1dbf
commit 600c82c021
23 changed files with 24 additions and 24 deletions

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@ -41,9 +41,9 @@ Demo
### 1) Configure ### 1) Configure
$ ./configure <config_file> $ ./configure.py <config_file>
For example you can type `./configure config/gfortran.cfg` For example you can type `./configure.py config/gfortran.cfg`
This command has two purposes : This command has two purposes :

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
"""configure """configure

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
""" """
Save the .o from a .f90 Save the .o from a .f90
and is the .o is asked a second time, retur it and is the .o is asked a second time, retur it

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
""" """
Usage: qp_create_ninja.py create <config_file> (--development | --production) Usage: qp_create_ninja.py create <config_file> (--development | --production)

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#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
import os import os

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
import sys import sys
import matplotlib.pyplot as plt import matplotlib.pyplot as plt

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
""" """
Welcome to the ei_handler. Welcome to the ei_handler.

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
""" """
This program generates all the This program generates all the
OCaml templates needed by qp_edit OCaml templates needed by qp_edit

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
__author__ = "Applencourt PEP8" __author__ = "Applencourt PEP8"
__date__ = "jeudi 26 mars 2015, 12:49:35 (UTC+0100)" __date__ = "jeudi 26 mars 2015, 12:49:35 (UTC+0100)"

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
""" """
convert output of gamess/GAU$$IAN to ezfio convert output of gamess/GAU$$IAN to ezfio

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#!/usr/bin/env python #!/usr/bin/env python2
import os import os

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
""" """
Module utilitary Module utilitary

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
""" """
Usage: Usage:

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
""" """
Updates the README.rst of a module Updates the README.rst of a module

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#!/usr/bin/env python #!/usr/bin/env python2
import os import os

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#!/usr/bin/env python #!/usr/bin/env python2
import os import os

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
""" """
Create the pseudo potential for a given atom Create the pseudo potential for a given atom

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@ -1,4 +1,4 @@
#! /usr/bin/env python #! /usr/bin/env python2
BIT_KIND_SIZE=64 BIT_KIND_SIZE=64

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#!/usr/bin/env python #!/usr/bin/env python2
import os import os
import sys import sys

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@ -24,7 +24,7 @@ if [[ ! -f "${EZFIO}/mo_basis/mo_label" ]]
then then
LABEL='no_label' LABEL='no_label'
else else
LABEL=$(head -1 "${EZFIO}/mo_basis/mo_label") LABEL=$(head -1 "${EZFIO}/mo_basis/mo_label" | xargs) #xargs trims the result
fi fi
DESTINATION="save/mo_basis/${LABEL}" DESTINATION="save/mo_basis/${LABEL}"

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#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
import urllib import urllib

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#!/usr/bin/env python #!/usr/bin/env python2
import subprocess import subprocess
pipe = subprocess.Popen("git config --get remote.origin.url", \ pipe = subprocess.Popen("git config --get remote.origin.url", \

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@ -1,4 +1,4 @@
#!/usr/bin/env python #!/usr/bin/env python2
# -*- coding: utf-8 -*- # -*- coding: utf-8 -*-
import os import os