[AMBER] Is this the place to ask about CPPTRAJ issues?

From: James Kress via AMBER <amber.ambermd.org>
Date: Sun, 5 Jan 2025 00:01:28 -0500

I'm trying to install the Dec 6, 2025 version of cpptraj from github. I
have RHEL 8.10 which is up to date.

I do the ./configure gnu
Then make install

The configure step runs with no errors.
The make install step ends with this error message:

/bin/rm -f libtng_io.a
ar cqs libtng_io.a md5.o tng_io.o tng_compress.o coder.o warnmalloc.o
fixpoint.o xtc3.o bwlzh.o xtc2.o widemuldiv.o huffmem.o vals16.o bwt.o mtf.o
rle.o lz77.o dict.o huffman.o merge_sort.o
make[2]: Leaving directory '/work/cpptraj/src/tng'
Link cpptraj
/usr/bin/ld: arpack/libarpack.a(dsaupd.o)(.text+0x124): unresolvable
R_X86_64_PC32 relocation against symbol `timing_'
/usr/bin/ld: final link failed: Nonrepresentable section on output
collect2: error: ld returned 1 exit status
make[1]: *** [Makefile:50: cpptraj] Error 1
make[1]: Leaving directory '/work/cpptraj/src'
make: *** [Makefile:10: install] Error 2

The complete output from the configure and make install is in the attached
file.

Any suggestions on how to fix this?

Thanks.

Jim
James Kress Ph.D., President
The KressWorksR Foundation
An IRS Approved 501 (c)(3) Charitable, Nonprofit Corporation
"ENGINEERING THE CURE" C
(248) 573-5499

Learn More and Donate At:
Website: http://www.kressworks.org

Confidentiality Notice | This e-mail message, including any attachments, is
for the sole use of the intended recipient(s) and may contain confidential
or proprietary information. Any unauthorized review, use, disclosure or
distribution is prohibited. If you are not the intended recipient,
immediately contact the sender by reply e-mail and destroy all copies of the
original message.





_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Sat Jan 04 2025 - 21:30:02 PST
Custom Search