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39 Open 241 Closed
39 Open 241 Closed
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Issues list

Fails to build with Python 3.13
#1677 opened Dec 23, 2024 by vedranmiletic
4
Segmentation fault with cython >= 3.0
#1671 opened Nov 24, 2024 by hainm
Support numpy 2.1.0
#1667 opened Sep 6, 2024 by hainm
Consider incorporating GraphVampNet into Pytraj
#1664 opened Jul 9, 2024 by hainm
@hainm
Trying to pip install pytraj
#1655 opened May 28, 2024 by FezokaTurbo
1
pytraj not compatible with OSX-arm64 arch bug
#1654 opened May 28, 2024 by xiki-tempula
nh_order_parameters bug
#1653 opened May 4, 2024 by keebborg
@hainm
pmap parallel error
#1651 opened Mar 27, 2024 by groponp
6
pytraj segmentation fault with cython 3.0 and cpptraj commit f1d21f688de5ea5c55e650abe6efdbc352bdc613
#1648 opened Dec 21, 2023 by hainm
1
pytraj.plot module not found
#1646 opened Dec 14, 2023 by muhammadammarzahid
2
Make binary wheel for pytraj?
#1645 opened Dec 8, 2023 by hainm
5
hbond pmap_mpi output format improvement
#1644 opened Dec 5, 2023 by Llauset
7
Installation error of pytraj with pip
#1629 opened Apr 9, 2023 by RajarshiRay25
4
calculated basepair matches in pytraj
#1627 opened Mar 27, 2023 by cloudella48
2
wrong major groove calculation
#1626 opened Mar 20, 2023 by cloudella48
8
Support trajin -type option for loading trajectory? new_options
#1621 opened Jan 12, 2023 by hainm
@hainm
Incorrect box dimensions when writing .rst7 from .dcd
#1620 opened Dec 24, 2022 by tuckerburgin
4
Amber22 installation: "source /home/xxxx/amber22/amber.sh" and "make test.serial" errors
#1619 opened Dec 13, 2022 by ursulap
4
Build pytraj error when installing Amber22
#1618 opened Dec 10, 2022 by ursulap
3
write_traj problem when selecting a mask and specific frames bug
#1616 opened Oct 11, 2022 by krlitros87
1
Having a new error. I tried some solutions but didn't work.
#1613 opened Sep 14, 2022 by jafarhayat
1
TypeError: no default __reduce__ due to non-trivial __cinit__ pmap/watershell
#1612 opened Aug 31, 2022 by krlitros87
6
Several vulnerabilities in the C library which pytraj depends on. Could you help upgrade to patch versions?
#1607 opened Apr 5, 2022 by JoeGardner000
3
Error with derived trajectories bug
#1606 opened Mar 28, 2022 by thepoole
1
Error in output when writing to .rst7 file
#1604 opened Mar 17, 2022 by sbkoby23
9
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