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Nix-QChem
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NixOS-QChem
Nix expressions for HPC/Quantum chemistry software packages
MIT License
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Update flake.lock/package list
#588
markuskowa
closed
1 day ago
0
Update flake.lock/package list
#587
markuskowa
closed
4 days ago
0
Update flake.lock/package list
#586
markuskowa
closed
4 days ago
0
Update flake.lock/package list
#585
markuskowa
closed
4 days ago
0
Update flake.lock/package list
#584
markuskowa
closed
1 week ago
0
Update flake.lock/package list
#583
markuskowa
closed
1 week ago
0
exciting: fluorine.0.0 -> neon.0.1
#582
sheepforce
closed
2 weeks ago
0
Update flake.lock/package list
#581
markuskowa
closed
2 weeks ago
0
Update flake.lock/package list
#580
markuskowa
closed
2 weeks ago
0
Update flake.lock/package list
#579
markuskowa
closed
2 weeks ago
0
Update flake.lock/package list
#578
markuskowa
closed
2 weeks ago
0
Update flake lock 309610
#577
markuskowa
closed
3 weeks ago
0
orca: 6.0.0 -> 6.0.1
#576
sheepforce
closed
3 weeks ago
1
python3.biopython broken on nixpkgs master
#575
markuskowa
closed
3 weeks ago
3
gauxc: init at unstable-2024-09-20
#574
sheepforce
closed
1 month ago
0
tests: use mpiCheckPhaseHook to avoid CPU pinning
#573
markuskowa
closed
1 month ago
0
tests: use mpiCheckPhaseHook to avoid CPU pinning
#572
markuskowa
closed
1 month ago
0
cclib: 1.8.1b0 -> 1.8.1
#571
sheepforce
closed
1 month ago
2
orca: make AVX2 selection dependent on hostPlatform flags
#570
markuskowa
closed
1 month ago
0
flake: add cachix public key to nixConfig.
#569
markuskowa
closed
1 month ago
0
Build cache populated?
#568
berquist
opened
1 month ago
2
pythonPackages.svgutils: remove in favor of upstream package
#567
markuskowa
closed
1 month ago
0
psi4: split output -> out, dev
#566
markuskowa
closed
1 month ago
4
amd-fftw: 4.2 -> 5.0
#565
markuskowa
closed
1 month ago
0
mpifx, scalapackfx: remove. Not needed anymore.
#564
markuskowa
closed
1 month ago
0
Cleanup of packages
#563
markuskowa
closed
1 month ago
1
Update flake.lock/package list
#562
markuskowa
closed
1 month ago
0
Update flake.lock/package list
#561
markuskowa
closed
1 month ago
0
Update flake.lock/package list
#560
markuskowa
closed
1 month ago
0
Update flake.lock/package list
#559
markuskowa
closed
1 month ago
0
Update flake.lock/package list
#558
markuskowa
closed
1 month ago
0
Update flake.lock/package list
#557
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#556
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#555
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#554
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#553
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#552
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#551
markuskowa
closed
2 months ago
0
Update flake lock 296218
#550
markuskowa
closed
2 months ago
0
qmcpack: add utility scripts and python modules
#549
sheepforce
closed
2 months ago
0
et: 20240527 -> 20240909
#548
markuskowa
closed
2 months ago
0
QMCPack Utilities
#547
sheepforce
closed
2 months ago
1
Update flake.lock/package list
#546
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#545
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#544
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#543
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#542
markuskowa
closed
2 months ago
0
Pytest runner
#541
sheepforce
closed
2 months ago
1
more python upgrade trouble: pycolt and theodore
#540
markuskowa
closed
2 months ago
3
Update flake.lock/package list
#539
markuskowa
closed
2 months ago
0
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