mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-22 03:23:29 +01:00
Anthony Scemama
cebc19a601
* Changed native into SSE4.2 in gfortran.cfg * Fixed rm opam_installer * Fix configure * Improving scaling of pt2 with network * Router/dealer in qp_tunnel * Reduced size of qp2.png * Exclude temp files in tar * Introduce NO_CACHE in configure for daily test * Faster determinants in OCaml * We always give max 10k dets in qp_edit. Read-only if more * Fixed save_natorb * Fixing bug in qp_edit * Comments * Biblio (#61) * Biblio (#62) * Update biblio * Update paper * Journal missing in research.bib * Added paper * Fixed Pierre Francois * Checking number of electrons in MOs * Biblio (#64) * Update biblio * Update paper * Journal missing in research.bib * Added paper * Fixed Pierre Francois * 2 papers * Fixed 6-31G and quickstart (#65) * Fixed 6-31 basis sets * Bug in quickstart * Biblio (#66) * Bugfix (#67) * Fixing opam installation * Fixed 6-31 basis sets * Bug in quickstart * Use irpf90 v1.7.6 * Fix IRPF90 Path
93 lines
2.7 KiB
Makefile
93 lines
2.7 KiB
Makefile
.NOPARALLEL:
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# Check if QP_ROOT is defined
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ifndef QP_ROOT
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$(info -------------------- Error --------------------)
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$(info QP_ROOT undefined. Source the quantum_package.rc script)
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$(info -----------------------------------------------)
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$(error )
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endif
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LIBS=
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PKGS=
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OCAMLCFLAGS="-g"
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OCAMLOPTFLAGS="opt -O3 -remove-unused-arguments -rounds 16 -inline 100 -inline-max-unroll 100"
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OCAMLBUILD=ocamlbuild -j 0 -cflags $(OCAMLCFLAGS) -lflags $(OCAMLCFLAGS) -ocamlopt $(OCAMLOPTFLAGS)
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MLLFILES=$(wildcard *.mll)
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MLFILES=$(wildcard *.ml) ezfio.ml Qptypes.ml Input_auto_generated.ml qp_edit.ml
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MLIFILES=$(wildcard *.mli) git
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ALL_TESTS=$(patsubst %.ml,%.byte,$(wildcard test_*.ml))
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ALL_EXE=$(patsubst %.ml,%.native,$(wildcard qp_*.ml)) qp_edit.native element_create_db.byte
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.PHONY: executables default remake_executables
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default: $(ALL_EXE) .gitignore
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tests: $(ALL_TESTS)
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.gitignore: $(MLFILES) $(MLIFILES)
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@for i in .gitignore ezfio.ml element_create_db Qptypes.ml Git.ml *.byte *.native _build $(ALL_EXE) $(ALL_TESTS) \
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$(patsubst %.ml,%,$(wildcard test_*.ml)) $(patsubst %.ml,%,$(wildcard qp_*.ml)) \
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$(shell grep Input Input_auto_generated.ml | awk '{print $$2 ".ml"}') \
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qp_edit.ml qp_edit qp_edit.native Input_auto_generated.ml;\
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do \
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echo $$i ; \
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done |sort | uniq > .gitignore
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executables: $(QP_ROOT)/data/executables
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$(QP_ROOT)/data/executables: remake_executables element_create_db.byte Qptypes.ml
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$(QP_ROOT)/scripts/module/create_executables_list.sh
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$(QP_ROOT)/ocaml/element_create_db.byte
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external_libs:
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opam install cryptokit sexplib
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qpackage.odocl: $(MLIFILES)
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ls $(MLIFILES) | sed "s/\.mli//" > qpackage.odocl
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doc: qpackage.odocl
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$(OCAMLBUILD) qpackage.docdir/index.html -use-ocamlfind $(PKGS)
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%.inferred.mli: $(MLFILES)
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$(OCAMLBUILD) $*.inferred.mli -use-ocamlfind $(PKGS)
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mv _build/$*.inferred.mli .
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%.byte: $(MLFILES) $(MLIFILES)
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rm -f -- $*
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$(OCAMLBUILD) $*.byte -use-ocamlfind $(PKGS)
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ln -s $*.byte $*
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qp_run.native: $(MLFILES) $(MLIFILES) executables
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%.native: $(MLFILES) $(MLIFILES)
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rm -f -- $*
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$(OCAMLBUILD) $*.native -use-ocamlfind $(PKGS)
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ln -s $*.native $*
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ezfio.ml: ${QP_ROOT}/external/ezfio/Ocaml/ezfio.ml
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cp ${QP_ROOT}/external/ezfio/Ocaml/ezfio.ml .
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qptypes_generator.byte: qptypes_generator.ml
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$(OCAMLBUILD) qptypes_generator.byte -use-ocamlfind
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Qptypes.ml: qptypes_generator.byte
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./qptypes_generator.byte > Qptypes.ml
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git:
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./create_git_sha1.sh
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${QP_EZFIO}/Ocaml/ezfio.ml:
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$(NINJA) -C ${QP_EZFIO}
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qp_edit.ml: ../scripts/ezfio_interface/qp_edit_template
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Input_auto_generated.ml qp_edit.ml: $(filter-out Input_auto_generated.ml, $(wildcard Input_*.ml))
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ei_handler.py ocaml_global
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clean:
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rm -rf _build Qptypes.ml Git.ml Input_auto_generated.ml $(ALL_EXE) $(ALL_TESTS)
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