Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / chemfiles/chemfiles issues and pull requests
#480 - Update to (more) recent CMake and C++ standard
Pull Request -
State: open - Opened by Luthaf 11 months ago
#479 - XTC format change for very large systems
Issue -
State: open - Opened by ElianeBriand about 1 year ago
- 1 comment
Labels: A-formats
#478 - A draft for read and write bond type for lammps data
Pull Request -
State: open - Opened by Roy-Kid about 1 year ago
- 1 comment
#477 - the version of chemfiles does not match chemfiles-lib and chemfiles-python in conda-forge
Issue -
State: closed - Opened by z-gong about 1 year ago
- 3 comments
#476 - [feature request] Feasibility of reading angle dihedral and improper
Issue -
State: open - Opened by Roy-Kid about 1 year ago
- 10 comments
Labels: A-formats, A-internals
#475 - Tracking issue for release 0.10.4
Issue -
State: closed - Opened by Luthaf about 1 year ago
- 1 comment
#474 - Update CI builders to Ubtuntu 20.04
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#474 - Update CI builders to Ubtuntu 20.04
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#473 - Backports to release 0.10
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#472 - TPR file read error
Issue -
State: closed - Opened by SamTov over 1 year ago
- 3 comments
#472 - TPR file read error
Issue -
State: closed - Opened by SamTov over 1 year ago
- 3 comments
#471 - Add check before fmt inclusion to avoid clash
Pull Request -
State: open - Opened by PlathC over 1 year ago
- 3 comments
#471 - Add check before fmt inclusion to avoid clash
Pull Request -
State: open - Opened by PlathC over 1 year ago
- 3 comments
#470 - In Chemfiles.jl output trajectory file has a compact format and thus loses precision
Issue -
State: closed - Opened by Zeki-Zhang over 1 year ago
#470 - In Chemfiles.jl output trajectory file has a compact format and thus loses precision
Issue -
State: closed - Opened by Zeki-Zhang over 1 year ago
#468 - Make MinGW builder faster on CI
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#467 - Fix wrong conversion for angles in triclinic DCD files
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#467 - Fix wrong conversion for angles in triclinic DCD files
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#465 - Make sure we create DCD files compatible with VMD
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#465 - Make sure we create DCD files compatible with VMD
Pull Request -
State: closed - Opened by Luthaf over 1 year ago
#464 - "mmap failed" for binary formats on WSL1
Issue -
State: open - Opened by z-gong over 1 year ago
- 9 comments
Labels: A-internals
#464 - "mmap failed" for binary formats on WSL1
Issue -
State: open - Opened by z-gong over 1 year ago
- 9 comments
Labels: A-internals
#463 - Improve endianness detection for aarch64-linux-musl
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
#463 - Improve endianness detection for aarch64-linux-musl
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
#462 - Add support for symbolic Atom types in LAMMPS
Issue -
State: open - Opened by Luthaf almost 2 years ago
Labels: A-formats
#462 - Add support for symbolic Atom types in LAMMPS
Issue -
State: open - Opened by Luthaf almost 2 years ago
Labels: A-formats
#461 - Tracking issue for release 0.10.3
Issue -
State: closed - Opened by Luthaf almost 2 years ago
- 1 comment
#461 - Tracking issue for release 0.10.3
Issue -
State: closed - Opened by Luthaf almost 2 years ago
- 1 comment
#460 - Backports #458 to release 0.10
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
#460 - Backports #458 to release 0.10
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
#459 - feat: TPR reader
Pull Request -
State: closed - Opened by ezavod almost 2 years ago
- 3 comments
#459 - feat: TPR reader
Pull Request -
State: closed - Opened by ezavod almost 2 years ago
- 3 comments
#458 - Fix cursor position in text files and add unwrapped property to LAMMPS
Pull Request -
State: closed - Opened by ezavod almost 2 years ago
- 2 comments
#458 - Fix cursor position in text files and add unwrapped property to LAMMPS
Pull Request -
State: closed - Opened by ezavod almost 2 years ago
- 2 comments
#457 - Backport DCD reader/writer to 0.10 branch
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
#456 - Backports to the 0.10 release branch
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
#456 - Backports to the 0.10 release branch
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
#455 - Re-enable automatic deployment of nightly documentation
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
Labels: A-documentation
#455 - Re-enable automatic deployment of nightly documentation
Pull Request -
State: closed - Opened by Luthaf almost 2 years ago
Labels: A-documentation
#454 - Mechanism to pass arbitrary metadata to readers/writers
Issue -
State: open - Opened by Luthaf almost 2 years ago
- 1 comment
#454 - Mechanism to pass arbitrary metadata to readers/writers
Issue -
State: open - Opened by Luthaf almost 2 years ago
- 1 comment
#453 - Rewrite the DCD reader with BinaryFile and add a DCD writer
Pull Request -
State: closed - Opened by Luthaf about 2 years ago
- 3 comments
#452 - Small warnings fixes
Pull Request -
State: closed - Opened by Luthaf about 2 years ago
#451 - feat: rewrite TRR and XTC formats
Pull Request -
State: closed - Opened by ezavod about 2 years ago
- 1 comment
#451 - feat: rewrite TRR and XTC formats
Pull Request -
State: closed - Opened by ezavod about 2 years ago
- 1 comment
#450 - Fix writing of unit cells with negative values in extended XYZ
Pull Request -
State: closed - Opened by Luthaf about 2 years ago
#450 - Fix writing of unit cells with negative values in extended XYZ
Pull Request -
State: closed - Opened by Luthaf about 2 years ago
#449 - Incorrect unit cell while writing to xyz file
Issue -
State: closed - Opened by rashidrafeek about 2 years ago
- 5 comments
Labels: bug, A-formats
#449 - Incorrect unit cell while writing to xyz file
Issue -
State: closed - Opened by rashidrafeek about 2 years ago
- 5 comments
Labels: bug, A-formats
#448 - Multi-threaded trajectory reading fails occasionally
Issue -
State: closed - Opened by ezavod about 2 years ago
- 2 comments
#448 - Multi-threaded trajectory reading fails occasionally
Issue -
State: closed - Opened by ezavod about 2 years ago
- 2 comments
#447 - refactor(BinaryFile): swap and write binary data in buffered chunks
Pull Request -
State: closed - Opened by ezavod about 2 years ago
- 6 comments
#447 - refactor(BinaryFile): swap and write binary data in buffered chunks
Pull Request -
State: closed - Opened by ezavod about 2 years ago
- 6 comments
#446 - refactor(Atom): do not allocate map without atom properties
Pull Request -
State: closed - Opened by ezavod about 2 years ago
- 3 comments
#445 - Small fixes for building and running tests on M1 mac
Pull Request -
State: closed - Opened by Luthaf about 2 years ago
#445 - Small fixes for building and running tests on M1 mac
Pull Request -
State: closed - Opened by Luthaf about 2 years ago
#444 - Upate compiler versions in CI
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#444 - Upate compiler versions in CI
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#443 - Replace netcdf-c with handwritten netcdf3 reader/writer
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 4 comments
#443 - Replace netcdf-c with handwritten netcdf3 reader/writer
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 4 comments
#442 - Add a frame property indicating if coordinates are unwrapped
Issue -
State: closed - Opened by SamTov over 2 years ago
- 6 comments
#442 - Add a frame property indicating if coordinates are unwrapped
Issue -
State: closed - Opened by SamTov over 2 years ago
- 6 comments
#441 - Unit change during GROMACS reading.
Issue -
State: closed - Opened by SamTov over 2 years ago
- 2 comments
#441 - Unit change during GROMACS reading.
Issue -
State: closed - Opened by SamTov over 2 years ago
- 2 comments
#440 - Reduce the size of more external archives
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#440 - Reduce the size of more external archives
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#439 - Backports for release 0.10
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 1 comment
#439 - Backports for release 0.10
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 1 comment
#438 - Use smaller archives for external dependencies
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 2 comments
#438 - Use smaller archives for external dependencies
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 2 comments
#437 - Remove the Linux binary from OpenSuse from the documentation
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
Labels: A-documentation
#437 - Remove the Linux binary from OpenSuse from the documentation
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
Labels: A-documentation
#436 - Tracking issue for release 0.10.2
Issue -
State: closed - Opened by Luthaf over 2 years ago
- 1 comment
#436 - Tracking issue for release 0.10.2
Issue -
State: closed - Opened by Luthaf over 2 years ago
- 1 comment
#435 - Backports fixes and improvements to release 0.10
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#435 - Backports fixes and improvements to release 0.10
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#434 - Small cleanup & improvements
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#434 - Small cleanup & improvements
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
#433 - Try using the new codecov uploader
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 1 comment
#433 - Try using the new codecov uploader
Pull Request -
State: closed - Opened by Luthaf over 2 years ago
- 1 comment
#432 - Update codecove uploader in CI
Issue -
State: closed - Opened by Luthaf over 2 years ago
#432 - Update codecove uploader in CI
Issue -
State: closed - Opened by Luthaf over 2 years ago
#431 - MMCIF reader optimization
Pull Request -
State: closed - Opened by sacraiou over 2 years ago
#431 - MMCIF reader optimization
Pull Request -
State: closed - Opened by sacraiou over 2 years ago
#430 - Read correct frame indices from TNG
Pull Request -
State: closed - Opened by ezavod over 2 years ago
- 4 comments
#430 - Read correct frame indices from TNG
Pull Request -
State: closed - Opened by ezavod over 2 years ago
- 4 comments
#429 - N-terminal hydrogens not listed in PDB connectivity
Issue -
State: open - Opened by jgreener64 over 2 years ago
- 2 comments
Labels: A-formats
#429 - N-terminal hydrogens not listed in PDB connectivity
Issue -
State: open - Opened by jgreener64 over 2 years ago
- 2 comments
Labels: A-formats
#428 - Update guess_format documentation
Pull Request -
State: closed - Opened by Luthaf almost 3 years ago
- 1 comment
Labels: A-documentation
#428 - Update guess_format documentation
Pull Request -
State: closed - Opened by Luthaf almost 3 years ago
- 1 comment
Labels: A-documentation
#427 - Symmetry operations (pdbx_struct_oper_list) in mmCIF
Issue -
State: open - Opened by Luthaf almost 3 years ago
- 6 comments
Labels: A-formats
#427 - Symmetry operations (pdbx_struct_oper_list) in mmCIF
Issue -
State: open - Opened by Luthaf almost 3 years ago
- 6 comments
Labels: A-formats
#426 - fix(DCD): read frames with missing unit cell data
Pull Request -
State: closed - Opened by ezavod almost 3 years ago
- 1 comment
#426 - fix(DCD): read frames with missing unit cell data
Pull Request -
State: closed - Opened by ezavod almost 3 years ago
- 1 comment
#425 - TNG: cannot read last frame of 1aki.tng
Issue -
State: closed - Opened by ezavod almost 3 years ago
- 6 comments
Labels: bug, A-formats
#425 - TNG: cannot read last frame of 1aki.tng
Issue -
State: closed - Opened by ezavod almost 3 years ago
- 6 comments
Labels: bug, A-formats
#424 - Store atom properties in extended XYZ as well
Pull Request -
State: closed - Opened by Luthaf almost 3 years ago
Labels: A-formats
#424 - Store atom properties in extended XYZ as well
Pull Request -
State: closed - Opened by Luthaf almost 3 years ago
Labels: A-formats
#423 - PSF reader based on VMD molfile
Pull Request -
State: closed - Opened by Luthaf almost 3 years ago
#423 - PSF reader based on VMD molfile
Pull Request -
State: closed - Opened by Luthaf almost 3 years ago