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https://github.com/LCPQ/quantum_package
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Improved setup scripts
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parent
9b83d42ba7
commit
11663c96da
6
Makefile
6
Makefile
@ -10,18 +10,20 @@ BLACK=(B[m
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.PHONY: doc src curl m4 ocaml irpf90
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default:
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./setup_environment.sh
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exec ./setup_environment.sh
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curl: bin/curl
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m4: bin/m4
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irpf90: bin/irpf90
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EZFIO: irpf90
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EZFIO: bin/irpf90
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$(info $(BLUE)===== Fetching EZFIO from the web ===== $(BLACK))
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@sleep 1
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@$(FETCH_FROM_WEB) "$(WWW_SERVER)/$(EZFIO_TGZ)" $(EZFIO_TGZ) || \
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(echo Unable to download EZFIO : $(WWW_SERVER)/$(EZFIO_TGZ) ; exit 1)
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tar -zxf $(EZFIO_TGZ) && rm $(EZFIO_TGZ)
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$(MAKE) -C src $$PWD/EZFIO
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touch EZFIO
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bin/irpf90:
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$(info $(BLUE)===== Fetching IRPF90 from the web ===== $(BLACK))
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@ -6,4 +6,5 @@ inputs:
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cd inputs ; $(MAKE) all_ezfio
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executables:
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$(MAKE) -C $(QPACKAGE_ROOT)/src executables && mv $(QPACKAGE_ROOT)/src/executables .
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cd $(QPACKAGE_ROOT)/src ; $(MAKE) executables
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mv $(QPACKAGE_ROOT)/src/executables .
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@ -10,8 +10,8 @@ if [[ $? -ne 0 ]]
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then
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scripts/fetch_from_web.py "https://raw.github.com/hcarty/ocamlbrew/master/ocamlbrew-install" ocamlbrew-install.sh
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cat < ocamlbrew-install.sh | env OCAMLBREW_FLAGS="-r" bash
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grep "source " ocaml_install.log | grep "etc/ocamlbrew.bashrc" >> quantum_package.rc
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cat < ocamlbrew-install.sh | env OCAMLBREW_FLAGS="-r" bash | tee ocamlbrew_install.log
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grep "source " ocamlbrew_install.log | grep "etc/ocamlbrew.bashrc" >> quantum_package.rc
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source quantum_package.rc
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echo Y | opam install core
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fi
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@ -28,6 +28,7 @@ export QPACKAGE_ROOT=${QPACKAGE_ROOT}
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export PYTHONPATH=\${PYTHONPATH}:\${QPACKAGE_ROOT}/scripts
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export PATH=\${PATH}:\${QPACKAGE_ROOT}/scripts
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export PATH=\${PATH}:\${QPACKAGE_ROOT}/bin
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export PATH=\${PATH}:\${QPACKAGE_ROOT}/ocaml
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export QPACKAGE_CACHE_URL="http://qmcchem.ups-tlse.fr/files/scemama/quantum_package/cache"
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source \${QPACKAGE_ROOT}/bin/irpman > /dev/null
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EOF
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@ -57,3 +58,6 @@ source quantum_package.rc
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=======================================================
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" $BLACK
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source quantum_package.rc
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exec bash
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