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Description of JANPA orbitals is improved (distinction between LP and core)
[molby/Molby.git] / Makefile_amber11
1 #  Usage: make -f Makefile_amber11 (in XXXX_build directory)
2 #  Build AmberTools in ./build/amber11-build
3 #  and copy necessary files into ./amber11
4 #  Assumes the source tree of the original AmberTools is in ../amber11
5 #  Note: make sure that the correct version of gcc/gfortran is found in PATH!
6 #    In the author's environment: (as of 2019/08/15)
7 #    Mac: export PATH=/usr/local/gcc8/bin:$PATH
8 #    Win: enable_brew
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10 OPWD = $(PWD)
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12 amber11 : ../amber11/src/antechamber/*.[ch] ../amber11/src/sqm/*.f ../amber11/src/config.h
13         (cd ../amber11; find src -type d -exec mkdir -p $(OPWD)/build/amber11-build/{} ';'; find src -not -type d -not -path '*/.*' -exec cp -p {} $(OPWD)/build/amber11-build/{} ';')
14         (export AMBERHOME=$(OPWD)/build/amber11-build && cd build/amber11-build/src && make) 
15         rm -rf amber11
16         mkdir -p amber11/dat/leap/parm
17         cp -p ../amber11/dat/leap/parm/{gaff,parm99}.dat amber11/dat/leap/parm
18         cp -rp ../amber11/dat/antechamber amber11/dat
19         mkdir -p amber11/bin
20         cp -r build/amber11-build/bin/{am1bcc,atomtype,parmchk,antechamber,bondtype,resp,respgen,espgen,prepgen,sqm}* amber11/bin
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