* make CPU acceleration selectable.
* update cmake flag for acceleration CPU_ACCELERATION -> SIMD
GMX_CPU_ACCELERATION is outdated and has been ignored.
* add hwloc to inputs
* always build with OpenMP
* change name -> pname
This makes packages use lapack and blas, which can wrap different
BLAS/LAPACK implementations.
treewide: cleanup from blas/lapack changes
A few issues in the original treewide:
- can’t assume blas64 is a bool
- unused commented code
Major changes and update to lammps build
- using fetchFromGitHub to get source instead of lammps mirror
- configurable lammps packages included and includes for compilation
- cleaner build script
- preserving the executable, shared library names, and include headers
Semi-automatic update generated by https://github.com/ryantm/nixpkgs-update tools.
This update was made based on information from https://repology.org/metapackage/gromacs/versions.
These checks were done:
- built on NixOS
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC had a zero exit code or showed the expected version
- /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.bash passed the binary check.
- /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.zsh passed the binary check.
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/GMXRC.csh had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/demux.pl had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/xplor2gmx.pl had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx-completion.bash had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx-completion-gmx.bash had a zero exit code or showed the expected version
- /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2/bin/gmx passed the binary check.
- 3 of 9 passed binary check by having a zero exit code.
- 0 of 9 passed binary check by having the new version present in output.
- found 2018.2 with grep in /nix/store/illh3rp28ipz35z0wipsfc18z4m03sah-gromacs-2018.2
- directory tree listing: https://gist.github.com/1679f0362dfcc7299a6d5b8d9e76c14e
- du listing: https://gist.github.com/2f848bb0fe181676c17b61a9d5a94953
Semi-automatic update generated by https://github.com/ryantm/nixpkgs-update tools.
This update was made based on information from https://repology.org/metapackage/gromacs/versions.
These checks were done:
- built on NixOS
- Warning: no invocation of /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/GMXRC had a zero exit code or showed the expected version
- /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/GMXRC.bash passed the binary check.
- /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/GMXRC.zsh passed the binary check.
- Warning: no invocation of /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/GMXRC.csh had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/demux.pl had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/xplor2gmx.pl had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/gmx-completion.bash had a zero exit code or showed the expected version
- Warning: no invocation of /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/gmx-completion-gmx.bash had a zero exit code or showed the expected version
- /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1/bin/gmx passed the binary check.
- 3 of 9 passed binary check by having a zero exit code.
- 0 of 9 passed binary check by having the new version present in output.
- found 2018.1 with grep in /nix/store/a0ab5ixcsgcj9pzkmysfa46dydbbzsyy-gromacs-2018.1
- directory tree listing: https://gist.github.com/4d089bde03168c17ad10db514f47d339
- du listing: https://gist.github.com/5dd10f02ed60d442ec148efcf18c7661
Semi-automatic update. These checks were done:
- built on NixOS
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/GMXRC.bash -h` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/GMXRC.bash --help` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/GMXRC.bash help` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/GMXRC.zsh -h` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/GMXRC.zsh --help` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/GMXRC.zsh help` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/gmx -h` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/gmx help` got 0 exit code
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/gmx --version` and found version 2018
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/gmx -h` and found version 2018
- ran `/nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018/bin/gmx help` and found version 2018
- found 2018 with grep in /nix/store/i2ls9z094j6a3vqvq6gz4hyhl86dh31d-gromacs-2018
* pkgs: refactor needless quoting of homepage meta attribute
A lot of packages are needlessly quoting the homepage meta attribute
(about 1400, 22%), this commit refactors all of those instances.
* pkgs: Fixing some links that were wrongfully unquoted in the previous
commit
* Fixed some instances
Many (less easily automatically converted) old-style strings
remain.
Where there was any possible ambiguity about the exact version or
variant intended, nothing was changed. IANAL, nor a search robot.
Use `with stdenv.lib` wherever it makes sense.
(My OCD kicked in today...)
Remove repeated package names, capitalize first word, remove trailing
periods and move overlong descriptions to longDescription.
I also simplified some descriptions as well, when they were particularly
long or technical, often based on Arch Linux' package descriptions.
I've tried to stay away from generated expressions (and I think I
succeeded).
Some specifics worth mentioning:
* cron, has "Vixie Cron" in its description. The "Vixie" part is not
mentioned anywhere else. I kept it in a parenthesis at the end of the
description.
* ctags description started with "Exuberant Ctags ...", and the
"exuberant" part is not mentioned elsewhere. Kept it in a parenthesis
at the end of description.
* nix has the description "The Nix Deployment System". Since that
doesn't really say much what it is/does (especially after removing
the package name!), I changed that to "Powerful package manager that
makes package management reliable and reproducible" (borrowed from
nixos.org).
* Tons of "GNU Foo, Foo is a [the important bits]" descriptions
is changed to just [the important bits]. If the package name doesn't
contain GNU I don't think it's needed to say it in the description
either.
