-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathMakefile
116 lines (94 loc) · 3.39 KB
/
Makefile
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
#
# The fortran compiler used to build the ATD scripts to execute
#
# This makefile can be run with:
#
# make ( This will build the executable files )
#
# or
#
# make clean ( This will remove the executable files )
#
#
# Requirements: gfortran (or other fortran 90 compiler, change below)
# tcl
#
#
# L. Martinez, Aug 31, 2009.
#
# Version 13.086
#
FORTRAN = gfortran
#
FLAGS = -O3 -ffast-math -frecord-marker=4
#
ATD_DIR := $(shell pwd)
BIN := $(ATD_DIR)/bin
#
FILES = $(BIN)/compute_temperature \
$(BIN)/time_dep \
$(BIN)/contacts \
$(BIN)/atd_prepare.tcl \
$(BIN)/atd_run.tcl \
$(BIN)/atd_sidechains.tcl \
$(BIN)/atd_total.tcl \
$(BIN)/atd_map.tcl \
$(BIN)/atd_temperatures.tcl \
$(BIN)/atd_clean.tcl \
$(BIN)/atd_check.tcl \
$(BIN)/atd_common.tcl \
$(BIN)/atd_procs.tcl \
./input_example/atd_script.inp
all : $(BIN) $(FILES)
@echo " -------------------------------------- "
@echo " ATD scripts are built. "
@echo " -------------------------------------- "
@echo " Add the "
@echo " $(BIN)"
@echo " to your path. "
@echo " -------------------------------------- "
$(BIN)/compute_temperature : ./src/compute_temperature.f90
$(FORTRAN) $(FLAGS) -o $(BIN)/compute_temperature ./src/compute_temperature.f90
$(BIN)/time_dep : ./src/time_dep.f90
$(FORTRAN) $(FLAGS) -o $(BIN)/time_dep ./src/time_dep.f90
$(BIN)/contacts: ./src/contacts.f90
$(FORTRAN) $(FLAGS) -o $(BIN)/contacts ./src/contacts.f90
$(BIN)/atd_prepare.tcl : ./src/atd_prepare.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_prepare.tcl > $(BIN)/atd_prepare.tcl
chmod +x $(BIN)/atd_prepare.tcl
$(BIN)/atd_run.tcl : ./src/atd_run.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_run.tcl > $(BIN)/atd_run.tcl
chmod +x $(BIN)/atd_run.tcl
$(BIN)/atd_sidechains.tcl : ./src/atd_sidechains.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_sidechains.tcl > $(BIN)/atd_sidechains.tcl
chmod +x $(BIN)/atd_sidechains.tcl
$(BIN)/atd_total.tcl : ./src/atd_total.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_total.tcl > $(BIN)/atd_total.tcl
chmod +x $(BIN)/atd_total.tcl
$(BIN)/atd_map.tcl : ./src/atd_map.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_map.tcl > $(BIN)/atd_map.tcl
chmod +x $(BIN)/atd_map.tcl
$(BIN)/atd_temperatures.tcl : ./src/atd_temperatures.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_temperatures.tcl > $(BIN)/atd_temperatures.tcl
chmod +x $(BIN)/atd_temperatures.tcl
$(BIN)/atd_clean.tcl : ./src/atd_clean.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_clean.tcl > $(BIN)/atd_clean.tcl
chmod +x $(BIN)/atd_clean.tcl
$(BIN)/atd_check.tcl : ./src/atd_check.tcl
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_check.tcl > $(BIN)/atd_check.tcl
chmod +x $(BIN)/atd_check.tcl
$(BIN)/atd_common.tcl : ./src/atd_common.tcl
cp ./src/atd_common.tcl $(BIN)/atd_common.tcl
$(BIN)/atd_procs.tcl : ./src/atd_procs.tcl
cp ./src/atd_procs.tcl $(BIN)/atd_procs.tcl
./input_example/atd_script.inp : ./src/atd_script.inp
sed 's!ATD_SCRIPTS_DIR!$(ATD_DIR)!' ./src/atd_script.inp > ./input_example/atd_script.inp
$(BIN) :
mkdir -p $(BIN)
clean :
rm -f $(FILES)
grace : ./xmgrace/Default.agr
if [ -f ~/.grace/templates/Default.agr ]; then mv -f ~/.grace/templates/Default.agr ~/.grace/templates/Default.agr.BAK; fi
mkdir -p ~/.grace
mkdir -p ~/.grace/templates
cp ./xmgrace/Default.agr ~/.grace/templates/