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https://github.com/LCPQ/quantum_package
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Working ninja
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@ -12,7 +12,8 @@ The script to create the dependency file (aka `build.ninja`) is
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* If you only want the binaries (for production workflow) use the flag
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* If you only want the binaries (for production workflow) use the flag
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`--production` in when calling this script. It's quicker
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`--production` in when calling this script. It's quicker
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* Else if you are a developer and you want to be able to compile specific
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* Else if you are a developer and you want to be able to compile specific
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modules use: `--development`
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modules use: `--development`. It will create for you the `build.ninja` in each
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module
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## Compilation Flags
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## Compilation Flags
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@ -23,12 +24,7 @@ used. You can edit these files to modify the compiling options.
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## Example to create the Ninja file
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## Example to create the Ninja file
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`qp_create_ninja.py --production $QP_ROOT/config/ifort.cfg`
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`qp_create_ninja.py create --production $QP_ROOT/config/ifort.cfg`
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# WARNING
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For now you need to execute this command if you add a `irp.f` or `EZFIO.cfg`
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file or modify the `NEED_CHILDREN_MODULE`!
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## Compiling
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## Compiling
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@ -37,5 +33,6 @@ elsewhere). The compilation will take approximately 3 min.
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If you have set the `--developement` flag in a specific module you can go in
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If you have set the `--developement` flag in a specific module you can go in
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the corresponding module directory and run `ninja` to build only this module.
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the corresponding module directory and run `ninja` to build only this module.
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You can type `ninja all` in a module for compiling all the submodule
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Finally, go in `$QP_ROOT/ocaml` and type `make`
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Finally, go in `$QP_ROOT/ocaml` and type `make`
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@ -247,11 +247,7 @@ def ninja_ezfio_build(l_ezfio_config, l_util):
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l_ezfio_from_cfg = [i.ez_config.abs for i in l_util.itervalues()]
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l_ezfio_from_cfg = [i.ez_config.abs for i in l_util.itervalues()]
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str_ = " ".join(l_ezfio_config + l_ezfio_from_cfg)
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str_ = " ".join(l_ezfio_config + l_ezfio_from_cfg)
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l_string = ["build {0}: build_ezfio {1}".format(EZFIO_LIB, str_), ""]
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ezfio_make_config = join(QP_ROOT_EZFIO, "make.config")
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l_string = ["build {0} {1}: build_ezfio {2}".format(EZFIO_LIB,
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ezfio_make_config,
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str_), ""]
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return l_string
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return l_string
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@ -381,8 +377,7 @@ def ninja_irpf90_make_rule():
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# c m d #
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# c m d #
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# ~#~#~ #
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# ~#~#~ #
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l_cmd = ["cd $module", "rm -rf IRPF90_temp IRPF90_man"
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l_cmd = ["cd $module"] + l_flag + ["irpf90 $include_dir $IRPF90_FLAGS"]
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] + l_flag + ["irpf90 $include_dir $IRPF90_FLAGS"]
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# ~#~#~#~#~#~ #
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# ~#~#~#~#~#~ #
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# s t r i n g #
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# s t r i n g #
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@ -559,7 +554,7 @@ def ninja_binaries_rule():
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# c m d #
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# c m d #
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# ~#~#~ #
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# ~#~#~ #
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l_cmd = ["cd $module/IRPF90_temp", "ninja $out"]
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l_cmd = ["cd $module/IRPF90_temp", "ninja $out && touch $out"]
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# ~#~#~#~#~#~ #
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# ~#~#~#~#~#~ #
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# s t r i n g #
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# s t r i n g #
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@ -653,15 +648,18 @@ def ninja_dot_tree_build(path_module):
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def create_ninja_module(path_module):
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def create_ninja_module(path_module):
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path_ninja_root = join(QP_ROOT, "build.ninja")
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path_ninja_root = join(QP_ROOT, "build.ninja")
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l_string = [
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l_string = ["rule update_ninja_common",
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"rule update_ninja_common", " command = qp_create_ninja.py update",
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" command = qp_create_ninja.py update", ""]
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"", "rule make_local_binaries",
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" command = ninja -f {0} module_{1}".format(path_ninja_root,
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l_string += ["rule make_local_binaries",
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path_module.rel), ""
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" command = ninja -j 1 -f {0} module_{1}".format(
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]
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path_ninja_root, path_module.rel),
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" description = Compile only {0}".format(path_module.rel),
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""]
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l_string += ["rule make_all_binaries",
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l_string += ["rule make_all_binaries",
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" command = ninja -f {0}".format(path_ninja_root), ""]
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" command = ninja -j 1 -f {0}".format(path_ninja_root),
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" description = Compile all the module", ""]
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l_string += ["build dumy_target: update_ninja_common", "",
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l_string += ["build dumy_target: update_ninja_common", "",
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"build all: make_all_binaries dumy_target", "",
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"build all: make_all_binaries dumy_target", "",
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@ -20,3 +20,8 @@ default: Huckel
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type: double precision
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type: double precision
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doc: Calculated HF energy
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doc: Calculated HF energy
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interface: output
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interface: output
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[energy_sdfsdf]
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type: double precision
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doc: Calculated HF energy
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interface: output
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