2014-04-01 17:49:29 +02:00
|
|
|
|
WWW_SERVER = http://qmcchem.ups-tlse.fr/files/scemama
|
|
|
|
|
IRPF90_TGZ = irpf90-latest-noarch-src.tar.gz
|
|
|
|
|
EZFIO_TGZ = EZFIO.latest.tar.gz
|
2014-04-07 15:45:19 +02:00
|
|
|
|
FETCH_FROM_WEB=./scripts/fetch_from_web.py
|
2014-04-01 17:49:29 +02:00
|
|
|
|
|
2014-10-23 22:40:21 +02:00
|
|
|
|
BLUE=[34m
|
|
|
|
|
BLACK=(B[m
|
|
|
|
|
|
|
|
|
|
|
2015-01-12 16:58:22 +01:00
|
|
|
|
.PHONY: doc src curl m4 ocaml irpf90 emsl
|
2014-04-01 17:49:29 +02:00
|
|
|
|
|
2014-04-07 15:45:19 +02:00
|
|
|
|
default:
|
2015-01-15 13:59:12 +01:00
|
|
|
|
@echo -----------------------------------------------
|
|
|
|
|
@echo To set up the environment, run
|
|
|
|
|
@echo ./setup_environment.sh
|
|
|
|
|
@echo
|
|
|
|
|
@echo To compile everything, run
|
|
|
|
|
@echo make build
|
|
|
|
|
@echo -----------------------------------------------
|
|
|
|
|
|
|
|
|
|
ifndef QPACKAGE_ROOT
|
|
|
|
|
build:
|
|
|
|
|
@echo -------------------- Error --------------------
|
|
|
|
|
@echo QPACKAGE_ROOT undefined.
|
|
|
|
|
@echo Run
|
|
|
|
|
@echo ./setup_environment.sh
|
|
|
|
|
@echo or
|
|
|
|
|
@echo source quantum_package.rc
|
|
|
|
|
@echo -----------------------------------------------
|
|
|
|
|
else
|
|
|
|
|
build:
|
|
|
|
|
$(MAKE) -C src
|
|
|
|
|
$(MAKE) -C ocaml
|
|
|
|
|
endif
|
2014-04-01 17:49:29 +02:00
|
|
|
|
|
2014-10-23 22:40:21 +02:00
|
|
|
|
curl: bin/curl
|
|
|
|
|
m4: bin/m4
|
|
|
|
|
irpf90: bin/irpf90
|
2015-01-12 16:58:22 +01:00
|
|
|
|
emsl: EMSL_Basis
|
2014-10-23 22:40:21 +02:00
|
|
|
|
|
2014-10-23 23:29:17 +02:00
|
|
|
|
EZFIO: bin/irpf90
|
2014-10-23 22:40:21 +02:00
|
|
|
|
$(info $(BLUE)===== Fetching EZFIO from the web ===== $(BLACK))
|
|
|
|
|
@sleep 1
|
2014-04-07 15:45:19 +02:00
|
|
|
|
@$(FETCH_FROM_WEB) "$(WWW_SERVER)/$(EZFIO_TGZ)" $(EZFIO_TGZ) || \
|
2014-04-01 17:49:29 +02:00
|
|
|
|
(echo Unable to download EZFIO : $(WWW_SERVER)/$(EZFIO_TGZ) ; exit 1)
|
2014-10-23 22:40:21 +02:00
|
|
|
|
tar -zxf $(EZFIO_TGZ) && rm $(EZFIO_TGZ)
|
2014-10-23 23:29:17 +02:00
|
|
|
|
$(MAKE) -C src $$PWD/EZFIO
|
|
|
|
|
touch EZFIO
|
2014-04-01 17:49:29 +02:00
|
|
|
|
|
2015-01-12 16:58:22 +01:00
|
|
|
|
EMSL_Basis:
|
|
|
|
|
$(info $(BLUE)===== Fetching EMSL_Basis_Set_Exchange_Local from the web ===== $(BLACK))
|
|
|
|
|
@sleep 1
|
|
|
|
|
QPACKAGE_ROOT=$$PWD ./scripts/install_emsl.sh | tee install_emsl.log
|
|
|
|
|
|
2015-01-12 19:14:00 +01:00
|
|
|
|
zlib:
|
|
|
|
|
$(info $(BLUE)===== Fetching Zlib from the web ===== $(BLACK))
|
|
|
|
|
@sleep 1
|
|
|
|
|
QPACKAGE_ROOT=$$PWD ./scripts/install_zlib.sh | tee install_zlib.log
|
|
|
|
|
|
|
|
|
|
|
2015-01-15 13:59:12 +01:00
|
|
|
|
bin/irpf90:
|
2014-10-23 22:40:21 +02:00
|
|
|
|
bin/irpf90:
|
|
|
|
|
$(info $(BLUE)===== Fetching IRPF90 from the web ===== $(BLACK))
|
|
|
|
|
@sleep 1
|
2014-11-28 22:32:21 +01:00
|
|
|
|
@$(FETCH_FROM_WEB) "$(WWW_SERVER)/$(IRPF90_TGZ)" $(IRPF90_TGZ) || \
|
|
|
|
|
(echo Unable to download IRPF90 : $(WWW_SERVER)/$(IRPF90_TGZ) ; exit 1)
|
|
|
|
|
tar -zxf $(IRPF90_TGZ) && rm $(IRPF90_TGZ)
|
|
|
|
|
$(MAKE) -C irpf90 | tee install_irpf90.log
|
|
|
|
|
rm -rf -- $$PWD/bin/irpf90 $$PWD/bin/irpman
|
2014-11-07 13:26:47 +01:00
|
|
|
|
echo $$PWD/irpf90/bin/irpf90 $$\@ > $$PWD/bin/irpf90
|
|
|
|
|
echo $$PWD/irpf90/bin/irpman $$\@ > $$PWD/bin/irpman
|
|
|
|
|
chmod +x $$PWD/bin/irpf90 $$PWD/bin/irpman
|
2014-04-01 17:49:29 +02:00
|
|
|
|
|
|
|
|
|
doc:
|
|
|
|
|
$(MAKE) -C doc
|
|
|
|
|
|
2014-10-23 22:40:21 +02:00
|
|
|
|
src: irpf90 EZFIO ocaml
|
|
|
|
|
@export QPACKAGE_ROOT=$$PWD ; \
|
2014-04-01 17:49:29 +02:00
|
|
|
|
$(MAKE) -C src
|
2014-10-07 14:45:44 +02:00
|
|
|
|
|
2014-10-23 22:40:21 +02:00
|
|
|
|
bin/curl:
|
|
|
|
|
$(info $(BLUE)===== Installing curl =====$(BLACK))
|
|
|
|
|
@sleep 1
|
|
|
|
|
QPACKAGE_ROOT=$$PWD ./scripts/install_curl.sh | tee install_curl.log
|
|
|
|
|
|
|
|
|
|
bin/m4:
|
|
|
|
|
$(info $(BLUE)===== Installing m4 =====$(BLACK))
|
|
|
|
|
@sleep 1
|
|
|
|
|
QPACKAGE_ROOT=$$PWD ./scripts/install_m4.sh | tee install_m4.log
|
|
|
|
|
|
|
|
|
|
|
2015-01-12 19:14:00 +01:00
|
|
|
|
ocaml: curl m4 emsl zlib
|
2014-10-29 22:25:30 +01:00
|
|
|
|
- rm -f -- ocaml/Qptypes.ml
|
2014-10-29 16:56:16 +01:00
|
|
|
|
$(MAKE) ocaml/Qptypes.ml
|
2014-10-23 22:40:21 +02:00
|
|
|
|
|
|
|
|
|
ocaml/Qptypes.ml:
|
|
|
|
|
$(info $(BLUE)===== Installing ocaml =====$(BLACK))
|
|
|
|
|
@sleep 1
|
|
|
|
|
QPACKAGE_ROOT=$$PWD ./scripts/install_ocaml.sh | tee install_ocaml.log
|
2014-10-07 14:45:44 +02:00
|
|
|
|
|