mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-24 21:41:46 +02:00
Fix some ezfio path
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parent
ebb3d391bd
commit
f4c03bffe2
7
configure
vendored
7
configure
vendored
@ -395,10 +395,10 @@ _|_ | | _> |_ (_| | | (_| |_ | (_) | |
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with open(path, "w+") as f:
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with open(path, "w+") as f:
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f.write("\n".join(l_string))
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f.write("\n".join(l_string))
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print " [ OK ] ({0})".format(path)
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print "[ OK ] ({0})".format(path)
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print str_info("install"),
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print str_info("install"),
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print " [ Running ]"
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print "[ Running ]"
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try:
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try:
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path_ninja = find_path("ninja", l_installed)
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path_ninja = find_path("ninja", l_installed)
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subprocess.check_call("cd install ;{0}".format(path_ninja), shell=True)
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subprocess.check_call("cd install ;{0}".format(path_ninja), shell=True)
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@ -501,7 +501,8 @@ def recommendation():
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print " ninja"
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print " ninja"
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print " make -C ocaml"
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print " make -C ocaml"
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print ""
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print ""
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print "PS : For more info on compiling the code, read the COMPILE_RUN.md file."
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print "You can install more plugin with the qp_install command"
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print "PS : For more info on compiling the code, read the README.md"
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if __name__ == '__main__':
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if __name__ == '__main__':
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52
ocaml/.gitignore
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52
ocaml/.gitignore
vendored
@ -3,47 +3,45 @@ ezfio.ml
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Qptypes.ml
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Qptypes.ml
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qptypes_generator.byte
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qptypes_generator.byte
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_build
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_build
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qp_basis_clean.native
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qp_create_ezfio_from_xyz.native
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qp_create_ezfio_from_xyz.native
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qp_edit.native
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qp_print.native
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qp_run.native
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qp_set_ddci.native
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qp_set_ddci.native
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qp_run.native
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qp_print.native
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qp_set_mo_class.native
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qp_set_mo_class.native
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qp_basis_clean.native
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qp_edit.native
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qp_edit.native
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test_atom.byte
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test_basis.byte
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test_bitlist.byte
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test_determinants.byte
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test_elements.byte
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test_excitation.byte
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test_gto.byte
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test_mo_label.byte
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test_mo_label.byte
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test_molecule.byte
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test_bitlist.byte
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test_point3d.byte
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test_point3d.byte
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test_atom
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test_elements.byte
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test_basis
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test_basis.byte
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test_bitlist
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test_gto.byte
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test_determinants
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test_determinants.byte
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test_elements
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test_excitation.byte
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test_excitation
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test_atom.byte
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test_gto
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test_molecule.byte
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test_mo_label
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test_mo_label
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test_molecule
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test_bitlist
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test_point3d
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test_point3d
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qp_basis_clean
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test_elements
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test_basis
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test_gto
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test_determinants
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test_excitation
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test_atom
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test_molecule
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qp_create_ezfio_from_xyz
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qp_create_ezfio_from_xyz
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qp_edit
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qp_print
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qp_run
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qp_set_ddci
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qp_set_ddci
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qp_run
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qp_print
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qp_set_mo_class
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qp_set_mo_class
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qp_basis_clean
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Input_determinants.ml
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Input_determinants.ml
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Input_hartree_fock.ml
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Input_integrals_bielec.ml
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Input_perturbation.ml
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Input_perturbation.ml
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Input_properties.ml
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Input_pseudo.ml
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Input_pseudo.ml
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Input_integrals_bielec.ml
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Input_properties.ml
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Input_hartree_fock.ml
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qp_edit.ml
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qp_edit.ml
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qp_edit
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qp_edit
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qp_edit.native
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qp_edit.native
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@ -5,11 +5,6 @@ import subprocess
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import os
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import os
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import sys
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import sys
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qpackage_root = os.environ['QP_ROOT']
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EZFIO = "{0}/install/EZFIO".format(qpackage_root)
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sys.path = [EZFIO + "/Python"] + sys.path
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from ezfio import ezfio
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from ezfio import ezfio
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from collections import defaultdict
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from collections import defaultdict
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from collections import namedtuple
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from collections import namedtuple
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