issues
search
Nix-QChem
/
NixOS-QChem
Nix expressions for HPC/Quantum chemistry software packages
MIT License
80
stars
17
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
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
dice: init at unstable-2024-07-02
#538
sheepforce
closed
2 months ago
0
gamess-us: 2023R1P1 -> 2024R2P1
#537
sheepforce
closed
2 months ago
1
Update flake.lock/package list
#536
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#535
markuskowa
closed
2 months ago
0
orca: add otool_external hook for external optimizer
#534
markuskowa
closed
2 months ago
3
Update flake.lock/package list
#533
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#532
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#531
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#530
markuskowa
closed
2 months ago
0
Update flake.lock/package list
#529
markuskowa
closed
2 months ago
0
update flake lock
#528
markuskowa
closed
2 months ago
0
pysisyphus: fix ase test
#527
sheepforce
closed
3 months ago
0
quantum-espresso evaluation
#526
sheepforce
closed
3 months ago
0
psi4: fix python version in overlay.nix
#525
sheepforce
closed
3 months ago
0
pysisyphus & hydra evaluation
#524
sheepforce
closed
3 months ago
0
dftbplus: use python3 instead of python311 in the overlay
#523
sheepforce
closed
3 months ago
0
dftbplus python 3.12
#522
sheepforce
closed
3 months ago
0
Python 3.12 compatibility for Psi4
#521
sheepforce
closed
3 months ago
0
dftbplus: fix compilation with mpi
#520
sheepforce
closed
3 months ago
0
crest: 3.0.1 -> 3.0.2
#519
sheepforce
closed
3 months ago
0
bagel: 1.2.2-2022-06-03 -> 1.2.2-2024-04-19
#518
markuskowa
closed
3 months ago
0
dftd4,simple-dftd3: add to optmized package set
#517
markuskowa
closed
4 months ago
0
amd-fftw: 4.1 -> 4.2
#516
markuskowa
closed
4 months ago
0
amd-scalapack: 4.1 -> 4.2
#515
markuskowa
closed
4 months ago
0
WIP: Flake lock update
#514
markuskowa
closed
2 months ago
7
Fix fallout from last nixpkgs staging merge
#513
markuskowa
closed
2 months ago
5
update package list
#512
markuskowa
closed
4 months ago
0
orca: 5.0.4 -> 6.0.0
#511
sheepforce
closed
4 months ago
0
xtb: 6.7.0 -> 6.7.1
#510
sheepforce
closed
4 months ago
0
Update flake.lock/package list
#509
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#508
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#507
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#506
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#505
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#504
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#503
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#502
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#501
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#500
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#499
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#498
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#497
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#496
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#495
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#494
markuskowa
closed
5 months ago
0
Update flake.lock/package list
#493
markuskowa
closed
5 months ago
0
Previous
Next