2022-02-25 17:27:15 +01:00
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# Copyright © 2022 - Rennes Physics Institute
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#
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# This file is part of MsSpec-DFM.
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#
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# MsSpec-DFM is free software: you can redistribute it and/or modify
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# it under the terms of the GNU General Public License as published by
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# the Free Software Foundation, either version 3 of the License, or
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# (at your option) any later version.
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# MsSpec-DFM is distributed in the hope that it will be useful,
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# but WITHOUT ANY WARRANTY; without even the implied warranty of
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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# GNU General Public License for more details.
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# You should have received a copy of the GNU General Public License
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# along with MsSpec-DFM. If not, see <http://www.gnu.org/licenses/>.
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#
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# Source file : src/Makefile
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# Last modified: Fri, 25 Feb 2022 17:27:18 +0100
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# Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes1.fr> 1645806435 +0100
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#
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# Type 'make help' for some help
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#
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###############################################################################
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# OPTIONS #
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###############################################################################
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DEBUG = 0
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BUILDDIR = build
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2022-02-28 22:30:37 +01:00
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SO = eps.so
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2022-02-25 17:27:15 +01:00
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FC = gfortran
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PREFIX = $(HOME)/.local
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AUTHORS = Didier Sébilleau <didier.sebilleau@univ-rennes1.fr>, \
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Aditi Mandal <p2016009@pilani.bits-pilani.ac.in>, \
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Sylvain Tricot <sylvain.tricot@univ-rennes1.fr>
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################################################################################
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# /!\ DO NOT EDIT BELOW THAT LINE (unlesss you know what you're doing...) #
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# CORE CONFIGURATION #
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################################################################################
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2022-02-28 22:30:37 +01:00
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SHELL = bash
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2022-02-25 17:27:15 +01:00
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ifeq ($(DEBUG),0)
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FFLAGS =
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else
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FFLAGS = -g -fbounds-check -fbacktrace -ffpe-trap=zero,overflow,underflow,invalid,denormal
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endif
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2022-03-03 18:42:55 +01:00
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# Make sure to use binaries of the of the virtualenv
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2022-02-25 17:27:15 +01:00
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ifdef VIRTUAL_ENV
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2022-03-03 18:42:55 +01:00
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PYTHON = $(VIRTUAL_ENV)/bin/python
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2022-02-25 17:27:15 +01:00
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F2PY = $(VIRTUAL_ENV)/bin/f2py
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2022-03-03 18:42:55 +01:00
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PIP = $(VIRTUAL_ENV)/bin/pip
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2022-02-25 17:27:15 +01:00
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else
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PYTHON = $(shell which python)
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2022-02-25 17:27:15 +01:00
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F2PY = $(shell which f2py)
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2022-03-03 18:42:55 +01:00
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PIP = $(shell which pip)
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endif
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F2PYFLAGS = --f77exec=$(FC) --f90exec=$(FC)
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# Ensure FC exists
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ifeq (,$(shell which $(FC)))
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$(error Missing $(FC) compiler)
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2022-02-25 17:27:15 +01:00
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endif
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2022-03-03 18:42:55 +01:00
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# Ensure python exists
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ifeq (,$(shell which $(PYTHON)))
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$(error Missing Python executable)
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endif
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# Ensure pip is installed
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ifeq (,$(shell which $(PIP)))
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$(error pip was not found)
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endif
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PYTHON_PKG_NAME = msspec_dfm
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VERSION = $(shell cd python && $(PYTHON) -c 'from $(PYTHON_PKG_NAME) import __version__; print(__version__)')
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SRCDIR = fortran/DFM_library
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PYPKG = python/$(PYTHON_PKG_NAME)
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2022-02-25 17:27:15 +01:00
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# Source files
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MANPAGE := man/eps.1
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cmn_DEPS:=$(SRCDIR)/ACCURACY_LIBRARY/accuracy.f90 \
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$(SRCDIR)/INPUT_OUTPUT_LIBRARY/input_values.f90 \
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$(SRCDIR)/DIMENSIONS_LIBRARY/dimensions.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/simple_numbers.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/powers_of_ten.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/mathematical_constants.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/physical_constants.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/factorials.f90 \
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$(SRCDIR)/ERROR_HANDLING_LIBRARY/error_caltech.f90 \
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$(SRCDIR)/PRINT_LIBRARY/printfiles.f90 \
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$(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/utic_values.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/external_damping.f90 \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/Fermi_values.f90
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tool_SRCS:=$(cmn_DEPS) \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/external_functions.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/Lindhard_function.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/gamma.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/digamma.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/2F1_real.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/mod_mlf_garrappa.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/derivation.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/smoothing.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/interpolation.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/integration.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/integration4.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/transforms.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/basic_functions.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/bessel.f90
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util_SRCS:=$(cmn_DEPS) \
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$(SRCDIR)/UTILITIES_LIBRARY/utilities_1.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_1.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_4.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_6.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_7.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_8.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_9.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/find_zero.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/polynomial_equations.f90
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prop_SRCS:=$(cmn_DEPS) \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/calc_Fermi.f90 \
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$(SRCDIR)/PLASMON_LIBRARY/plasmon_ene.f90 \
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$(SRCDIR)/SCALE_PARAMETERS_LIBRARY/scale_parameters.f90 \
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$(SRCDIR)/ENERGIES_LIBRARY/correlation_energies.f90 \
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$(SRCDIR)/ENERGIES_LIBRARY/delta_t.f90 \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/thermodynamic_properties.f90 \
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$(SRCDIR)/SCREENING_LIBRARY/screening_vec1.f90 \
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$(SRCDIR)/CONFINEMENT_LIBRARY/confinement_ff.f90 \
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$(SRCDIR)/CONFINEMENT_LIBRARY/coulomb.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/utilities_3.f90 \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/material_properties.f90 \
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$(SRCDIR)/THERMAL_PROPERTIES_LIBRARY/thermal_properties.f90 \
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$(SRCDIR)/ENERGIES_LIBRARY/xc_energies.f90 \
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$(SRCDIR)/ENERGIES_LIBRARY/exchange_energies.f90 \
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$(SRCDIR)/ENERGIES_LIBRARY/kinetic_energies.f90 \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/thermodynamic_quantities.f90 \
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$(SRCDIR)/THERMAL_PROPERTIES_LIBRARY/chemical_potential.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/utilities_4.f90 \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/calc_energies.f90
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#
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# Read input data file:
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#
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read_SRCS:=$(tool_SRCS) $(util_SRCS) $(prop_SRCS) \
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$(SRCDIR)/INPUT_OUTPUT_LIBRARY/read_data.f90
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io_SRCS:=$(SRCDIR)/INPUT_OUTPUT_LIBRARY/filenames.f90 \
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$(SRCDIR)/INPUT_OUTPUT_LIBRARY/outfiles.f90 \
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$(SRCDIR)/INPUT_OUTPUT_LIBRARY/change_filenames.f90 \
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$(SRCDIR)/INPUT_OUTPUT_LIBRARY/store_coef.f90 \
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$(SRCDIR)/INPUT_OUTPUT_LIBRARY/open_files.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_headers.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_calc_type.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_Fermi.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_plasmons.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_scale_param.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_material_lengths.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_thermal.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_thermodynamics.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_energies.f90 \
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$(SRCDIR)/INPUT_OUTPUT_LIBRARY/close_files.f90
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calc_DEPS:=$(cmn_DEPS) \
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$(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_static.f90 \
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$(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/gr_asymptotic.f90 \
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$(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/sq_asymptotic.f90 \
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$(SRCDIR)/CONFINEMENT_LIBRARY/confinement_wf.f90 \
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$(SRCDIR)/LOCAL_FIELD_LIBRARY/iq_functions_1.f90 \
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$(SRCDIR)/MOMENTS_LIBRARY/loss_moments.f90 \
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$(SRCDIR)/PAIR_DISTRIBUTION_FUNCTION/pair_distribution.f90 \
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$(SRCDIR)/PAIR_CORRELATION_LIBRARY/pair_correlation.f90 \
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$(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_static.f90 \
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$(SRCDIR)/LOCAL_FIELD_LIBRARY/iq_functions_2.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_2.f90 \
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$(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/gamma_asymptotic.f90 \
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$(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/calc_asymptotic.f90 \
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$(SRCDIR)/LOCAL_FIELD_LIBRARY/local_field_static.f90 \
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$(SRCDIR)/LOCAL_FIELD_LIBRARY/local_field_static_2.f90 \
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$(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_static_2.f90 \
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$(SRCDIR)/NEVANLINNA_FUNCTIONS_LIBRARY/Nevanlinna_functions.f90 \
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$(SRCDIR)/MEMORY_FUNCTIONS_LIBRARY/memory_functions.f90 \
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$(SRCDIR)/SCREENING_LIBRARY/screening_vec2.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/velocities.f90 \
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$(SRCDIR)/SCALE_PARAMETERS_LIBRARY/scale_parameters.f90 \
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$(SRCDIR)/MOMENTS_LIBRARY/moments.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_3.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_10.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/coulomb_log.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/packing_fraction.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/classical_fluid.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/diffusion_coefficient.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/electron_phonon_int.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/scattering_length.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/lifetime.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/viscosity.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/relaxation_time_static.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/utic_parameters.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/decay_rate.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/calc_damping.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/diffusion_coefficient_2.f90 \
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$(SRCDIR)/PLASMON_LIBRARY/plasmon_dispersion.f90 \
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$(SRCDIR)/PLASMON_LIBRARY/q_bounds.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/plasmon_damping.f90 \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/calc_energies.f90 \
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$(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/grand_partition.f90 \
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$(SRCDIR)/UTILITIES_LIBRARY/utilities_2.f90 \
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$(SRCDIR)/LANDAU_PARAMETERS_LIBRARY/landau.f90 \
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$(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/phi_function.f90 \
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$(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_stan_dynamic.f90 \
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$(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_magn_dynamic.f90 \
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$(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfunct_dynamic.f90 \
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$(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_dynamic_2.f90 \
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$(SRCDIR)/INTERACTION_POTENTIALS_LIBRARY/interaction_potentials_r.f90 \
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$(SRCDIR)/INTERACTION_POTENTIALS_LIBRARY/interaction_potentials_k.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/decay_rate.f90 \
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$(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_dynamic.f90 \
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$(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_stan_dynamic_2.f90 \
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$(SRCDIR)/DAMPING_LIBRARY/mean_free_path.f90 \
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$(SRCDIR)/SPECTRAL_FUNCTION_LIBRARY/spectral_function.f90 \
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$(SRCDIR)/LOCAL_FIELD_LIBRARY/local_field_dynamic.f90 \
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$(SRCDIR)/PRINT_LIBRARY/print_asymptotic.f90 \
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$(SRCDIR)/POST_PROCESSING_LIBRARY/re_eps_0_treatment.f90 \
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$(SRCDIR)/MOMENTS_LIBRARY/moments_loss.f90 \
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$(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_5.f90
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#
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# Calculators:
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#
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calc_SRCS:=$(SRCDIR)/CALCULATORS_LIBRARY/calculators_1.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/calculators_2.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/calculators_3.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/calculators_5.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/calculators_7.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/calculators_8.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/calculators_9.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_1.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_2.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_3.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_5.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_7.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_8.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_9.f90
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#
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# Test_integrals:
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#
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calc_TEST:=$(SRCDIR)/TEST_LIBRARY/test_integrals_2.f90 \
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$(SRCDIR)/TEST_LIBRARY/test_integrals_3.f90 \
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$(SRCDIR)/TEST_LIBRARY/test_integrals_8.f90 \
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$(SRCDIR)/TEST_LIBRARY/test_int_Hubbard.f90
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#
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# Post-processing:
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#
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calc_POST:=$(SRCDIR)/PLASMON_LIBRARY/plasmon_dispersion_2.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/calculators_p.f90 \
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$(SRCDIR)/CALCULATORS_LIBRARY/call_calc_p.f90
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2022-02-28 22:30:37 +01:00
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SRCS:=$(read_SRCS) $(io_SRCS) $(calc_DEPS) $(calc_SRCS) $(calc_TEST) $(calc_POST)
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2022-02-25 17:27:15 +01:00
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OBJS:=$(addprefix $(BUILDDIR)/,$(patsubst %.f90,%.o,$(SRCS)))
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2022-03-03 18:42:55 +01:00
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.PHONY: all obj so pypkg required_python_packages install uninstall man clean help
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2022-02-25 17:27:15 +01:00
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2022-03-03 18:42:55 +01:00
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all: required_python_packages so
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2022-02-25 17:27:15 +01:00
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obj: $(OBJS)
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2022-03-03 18:42:55 +01:00
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2022-02-25 17:27:15 +01:00
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so: python/$(PYTHON_PKG_NAME)/$(SO)
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2022-03-03 18:42:55 +01:00
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2022-02-25 17:27:15 +01:00
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pypkg: python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz
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2022-03-03 18:42:55 +01:00
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required_python_packages:
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2022-03-07 14:38:14 +01:00
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|
@$(PIP) install numpy matplotlib click-man
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2022-03-03 18:42:55 +01:00
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2022-02-25 17:27:15 +01:00
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python/VERSION:
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@cat $(VERSION) > $@
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|
2022-02-28 22:30:37 +01:00
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install: python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz
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|
|
@echo "Installing $^"
|
2022-03-03 18:42:55 +01:00
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|
|
@$(PIP) install $^
|
2022-02-28 22:30:37 +01:00
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|
|
2022-02-25 17:27:15 +01:00
|
|
|
python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz: python/$(PYTHON_PKG_NAME)/$(SO)
|
2022-02-28 22:30:37 +01:00
|
|
|
python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz: man
|
2022-02-25 17:27:15 +01:00
|
|
|
python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz: python/MANIFEST.in python/setup.py python/pip.freeze $(shell find python/$(PYTHON_PKG_NAME) -name '*.py')
|
2022-03-03 18:42:55 +01:00
|
|
|
@cd python && $(PYTHON) setup.py sdist
|
2022-02-25 17:27:15 +01:00
|
|
|
|
|
|
|
|
|
2022-02-28 22:30:37 +01:00
|
|
|
python/$(PYTHON_PKG_NAME)/$(SO): $(OBJS) $(SRCDIR)/../_dfm.f90
|
2022-02-25 17:27:15 +01:00
|
|
|
@echo "Building $@ shared object..."
|
|
|
|
|
@mkdir -p $(BUILDDIR)
|
2022-03-03 18:42:55 +01:00
|
|
|
@$(F2PY) $(F2PYFLAGS) -I$(BUILDDIR) -m $(BUILDDIR).$(basename $(@F)) -c $(filter-out $(lastword $^), $^) $(SRCDIR)/../_dfm.f90 && mv $(BUILDDIR)/*.so $@
|
2022-02-25 17:27:15 +01:00
|
|
|
|
|
|
|
|
|
|
|
|
|
$(BUILDDIR)/%.o: %.f90
|
|
|
|
|
@echo "Compiling $@..."
|
|
|
|
|
@mkdir -p $(BUILDDIR)/$(dir $^)
|
|
|
|
|
@$(FC) $(FFLAGS) -J $(BUILDDIR) -I $(BUILDDIR) -fPIC -o $@ -c $<
|
|
|
|
|
|
|
|
|
|
|
2022-02-28 22:30:37 +01:00
|
|
|
man: python/man/inputfile.spec
|
2022-03-03 18:42:55 +01:00
|
|
|
@cd python && $(PYTHON) setup.py --command-packages=click_man.commands man_pages --target ./man/pages
|
2022-02-28 22:30:37 +01:00
|
|
|
@cd python/man/pages && cat ../inputfile.spec >> *-generate.1
|
|
|
|
|
@cd python/man/pages && echo -e ".SH AUTHORS\n.PP\n$(AUTHORS)" | tee -a *.1 > /dev/null
|
|
|
|
|
@cd python/man/pages && gzip -f *.1
|
2022-02-25 17:27:15 +01:00
|
|
|
|
|
|
|
|
|
|
|
|
|
uninstall:
|
2022-03-03 18:42:55 +01:00
|
|
|
@$(PIP) uninstall -y $(PYTHON_PKG_NAME)
|
2022-02-25 17:27:15 +01:00
|
|
|
|
|
|
|
|
|
|
|
|
|
clean:
|
2022-03-03 18:42:55 +01:00
|
|
|
@rm -rf $(BUILDDIR)
|
|
|
|
|
@rm -f python/$(PYTHON_PKG_NAME)/*.so
|
|
|
|
|
@rm -rf python/dist
|
|
|
|
|
@rm -rf python/*.egg-info
|
|
|
|
|
@rm -f python/VERSION
|
2022-02-28 22:30:37 +01:00
|
|
|
@rm -rf python/man/pages
|
2022-02-25 17:27:15 +01:00
|
|
|
|
|
|
|
|
|
|
|
|
|
help:
|
2022-03-03 18:42:55 +01:00
|
|
|
@echo "Type 'make' or 'make all' to build."
|
2022-02-25 17:27:15 +01:00
|
|
|
@echo "Type 'make install' to install the code."
|
