chemfiles/chemfiles.py issues and pull requests

#52 - Debug cibuildwheels

Pull Request - State: closed - Opened by Luthaf 9 months ago

#51 - Use MVSC to build windows wheels

Pull Request - State: closed - Opened by Luthaf about 1 year ago

#50 - [chemfiles 0.10.4] Cannot find libchemfiles.dll

Issue - State: closed - Opened by IAlibay about 1 year ago - 1 comment

#49 - Improve sdist/wheel building on CI

Pull Request - State: closed - Opened by Luthaf about 1 year ago

#48 - Update to chemfiles 0.10.4

Pull Request - State: closed - Opened by Luthaf about 1 year ago

#47 - Modernize setup.py

Pull Request - State: closed - Opened by Luthaf about 1 year ago

#46 - Update version of github actions

Pull Request - State: closed - Opened by Luthaf over 1 year ago

#45 - How to load LAMMPS data file with chemfiles.py

Issue - State: open - Opened by Roy-Kid over 1 year ago - 1 comment

#44 - Build wheels on CI

Pull Request - State: closed - Opened by Luthaf over 1 year ago

#43 - Fix the build with an external chemfiles

Pull Request - State: closed - Opened by Luthaf almost 2 years ago

#42 - Update scripts for 0.10.3 release

Pull Request - State: closed - Opened by Luthaf almost 2 years ago

#41 - Update to Chemfiles 0.10.3

Pull Request - State: closed - Opened by Luthaf almost 2 years ago

#40 - Add a CI runner with Python 3.10

Pull Request - State: closed - Opened by Luthaf about 2 years ago - 1 comment

#39 - Add python 3.10 support

Issue - State: closed - Opened by IAlibay about 2 years ago - 3 comments

#38 - Use smaller archives in chemfiles lib

Pull Request - State: closed - Opened by Luthaf over 2 years ago

#37 - Handle SONAME not being defined

Pull Request - State: closed - Opened by Luthaf over 2 years ago

#36 - Update to chemfiles 0.10.2

Pull Request - State: closed - Opened by Luthaf over 2 years ago

#35 - Improve scripts for generating wheels & sdist

Pull Request - State: closed - Opened by Luthaf almost 3 years ago

#34 - Update to chemfiles 0.10.1

Pull Request - State: closed - Opened by Luthaf almost 3 years ago

#33 - Workaround a pip issue when with pyproject.toml & editable install

Pull Request - State: closed - Opened by Luthaf almost 3 years ago - 2 comments

#32 - Error with editable installation

Issue - State: closed - Opened by SamTov almost 3 years ago - 3 comments
Labels: bug

#31 - Update install documentation to mention pip

Pull Request - State: closed - Opened by Luthaf almost 3 years ago

#30 - Setup mypy for static type checking

Pull Request - State: closed - Opened by Luthaf about 3 years ago - 1 comment

#29 - Small changes to cmake when using external chemfiles

Pull Request - State: closed - Opened by Luthaf over 3 years ago

#28 - Move documentation build script to github actions

Pull Request - State: closed - Opened by Luthaf over 3 years ago

#27 - Fix documentation build

Pull Request - State: closed - Opened by Luthaf over 3 years ago

#26 - Use GitHub actions for CI instead of Travis + Appveyor

Pull Request - State: closed - Opened by Luthaf over 3 years ago

#25 - Add parameters documentation

Issue - State: open - Opened by Luthaf over 3 years ago

#24 - Update to v0.10

Pull Request - State: closed - Opened by Luthaf over 3 years ago - 1 comment

#23 - fix: check used function is a substring of other function name

Pull Request - State: closed - Opened by ezavod about 4 years ago

#22 - Allow accessing atoms as frame.topology.atoms

Pull Request - State: closed - Opened by Luthaf over 4 years ago - 1 comment

#21 - Update to chemfiles v0.9.3

Pull Request - State: closed - Opened by Luthaf over 4 years ago

#20 - Update to 0.9.2

Pull Request - State: closed - Opened by Luthaf over 4 years ago

#19 - Selection function can not select name == 1.

Issue - State: closed - Opened by Chenghao-Wu almost 5 years ago - 2 comments

#18 - Check the examples in the tests

Pull Request - State: closed - Opened by Luthaf almost 5 years ago

#17 - Tutorials/Examples are broken

Issue - State: closed - Opened by ezavod almost 5 years ago - 3 comments
Labels: bug

#16 - Do not leak file handles and actually close files

Pull Request - State: closed - Opened by Luthaf almost 5 years ago

#15 - Leaking file handles

Issue - State: closed - Opened by richardjgowers almost 5 years ago - 1 comment

#14 - Don't leak all the memory, and respect constness

Pull Request - State: closed - Opened by Luthaf about 5 years ago

#13 - Fix documentation generation

Pull Request - State: closed - Opened by Luthaf about 5 years ago

#12 - Update chemfiles to 0.9.1

Pull Request - State: closed - Opened by Luthaf over 5 years ago

#11 - More updates for 0.9

Pull Request - State: closed - Opened by Luthaf over 5 years ago

#10 - Add implementations of repr for all types

Issue - State: closed - Opened by Luthaf over 5 years ago

#9 - Update to 0.9.0

Pull Request - State: closed - Opened by Luthaf over 5 years ago

#8 - Run the check-used-function.py script on travis

Pull Request - State: closed - Opened by Luthaf over 6 years ago

#7 - Convert the build system to use scikit-build

Issue - State: closed - Opened by Luthaf over 6 years ago

#6 - Fix iteration in a trajectory

Pull Request - State: closed - Opened by Luthaf over 6 years ago

#5 - Update to latest master

Pull Request - State: closed - Opened by Luthaf about 7 years ago

#4 - Add examples to all functions

Issue - State: open - Opened by Luthaf over 7 years ago
Labels: help wanted

#3 - Use a pre-built version of chemfiles if available

Issue - State: closed - Opened by Luthaf over 8 years ago - 1 comment

#2 - Check relocation of the conda recipe

Issue - State: closed - Opened by Luthaf over 8 years ago - 1 comment

#1 - Add testing on Travis

Issue - State: closed - Opened by Luthaf almost 9 years ago

GitHub / chemfiles/chemfiles.py issues and pull requests