sci-chemistry/

gromacs

Bug Reports

• sci-chemistry/gromacs-2024.1 - /.../pme_gpu_internal.cpp: error: MPI_INT was not declared in this scope

  930796 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs-2024.1 fails to compile: identifyavx512fmaunits.cpp:205:5: error: the register zmm11 cannot be clobbered in asm for the current target

  927900 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs-2022.4 does not enable tests

  836855 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs-2024.3 fails to compile: energyhistory.h:89:5: error: int64_t does not name a type

  939006 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs: uses distuitls-r1.eclass incorrectly

  856415 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs-2021.7-r1 fails to compile: modularsimulator.h:131:15: error: there are no arguments to getenv that depend on a template parameter, so a declaration of getenv must be available [-fpermissive]

  928852 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs-2023.1 fails tests (MUSL-SYSTEM)

  907989 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs: don't drop GMXRC files

  914360 - Assigned to Alexey Shvetsov
• sci-chemistry/gromacs-2024.2 - [icu-75.1] [gcc-15] /.../energyhistory.cpp: error: nsum was not declared in this scope

  937696 - Assigned to Alexey Shvetsov