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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 12:23:48 +01:00

Fix some ezfio path

This commit is contained in:
TApplencourt 2015-09-30 13:47:22 +02:00
parent ebb3d391bd
commit f4c03bffe2
3 changed files with 29 additions and 35 deletions

7
configure vendored
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@ -395,10 +395,10 @@ _|_ | | _> |_ (_| | | (_| |_ | (_) | |
with open(path, "w+") as f: with open(path, "w+") as f:
f.write("\n".join(l_string)) f.write("\n".join(l_string))
print " [ OK ] ({0})".format(path) print "[ OK ] ({0})".format(path)
print str_info("install"), print str_info("install"),
print " [ Running ]" print "[ Running ]"
try: try:
path_ninja = find_path("ninja", l_installed) path_ninja = find_path("ninja", l_installed)
subprocess.check_call("cd install ;{0}".format(path_ninja), shell=True) subprocess.check_call("cd install ;{0}".format(path_ninja), shell=True)
@ -501,7 +501,8 @@ def recommendation():
print " ninja" print " ninja"
print " make -C ocaml" print " make -C ocaml"
print "" print ""
print "PS : For more info on compiling the code, read the COMPILE_RUN.md file." print "You can install more plugin with the qp_install command"
print "PS : For more info on compiling the code, read the README.md"
if __name__ == '__main__': if __name__ == '__main__':

52
ocaml/.gitignore vendored
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@ -3,47 +3,45 @@ ezfio.ml
Qptypes.ml Qptypes.ml
qptypes_generator.byte qptypes_generator.byte
_build _build
qp_basis_clean.native
qp_create_ezfio_from_xyz.native qp_create_ezfio_from_xyz.native
qp_edit.native
qp_print.native
qp_run.native
qp_set_ddci.native qp_set_ddci.native
qp_run.native
qp_print.native
qp_set_mo_class.native qp_set_mo_class.native
qp_basis_clean.native
qp_edit.native qp_edit.native
test_atom.byte
test_basis.byte
test_bitlist.byte
test_determinants.byte
test_elements.byte
test_excitation.byte
test_gto.byte
test_mo_label.byte test_mo_label.byte
test_molecule.byte test_bitlist.byte
test_point3d.byte test_point3d.byte
test_atom test_elements.byte
test_basis test_basis.byte
test_bitlist test_gto.byte
test_determinants test_determinants.byte
test_elements test_excitation.byte
test_excitation test_atom.byte
test_gto test_molecule.byte
test_mo_label test_mo_label
test_molecule test_bitlist
test_point3d test_point3d
qp_basis_clean test_elements
test_basis
test_gto
test_determinants
test_excitation
test_atom
test_molecule
qp_create_ezfio_from_xyz qp_create_ezfio_from_xyz
qp_edit
qp_print
qp_run
qp_set_ddci qp_set_ddci
qp_run
qp_print
qp_set_mo_class qp_set_mo_class
qp_basis_clean
Input_determinants.ml Input_determinants.ml
Input_hartree_fock.ml
Input_integrals_bielec.ml
Input_perturbation.ml Input_perturbation.ml
Input_properties.ml
Input_pseudo.ml Input_pseudo.ml
Input_integrals_bielec.ml
Input_properties.ml
Input_hartree_fock.ml
qp_edit.ml qp_edit.ml
qp_edit qp_edit
qp_edit.native qp_edit.native

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@ -5,11 +5,6 @@ import subprocess
import os import os
import sys import sys
qpackage_root = os.environ['QP_ROOT']
EZFIO = "{0}/install/EZFIO".format(qpackage_root)
sys.path = [EZFIO + "/Python"] + sys.path
from ezfio import ezfio from ezfio import ezfio
from collections import defaultdict from collections import defaultdict
from collections import namedtuple from collections import namedtuple