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

#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

#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