fangohr/octopus-in-spack issues and pull requests

#100 - fcflag ffree-line-length-none nolonger need

Issue - State: closed - Opened by iamashwin99 about 1 year ago - 1 comment

#99 - Add DFTB+ as variant

Pull Request - State: open - Opened by fangohr about 1 year ago - 5 comments

#98 - Add DFTB+ to Octopus package

Issue - State: open - Opened by fangohr about 1 year ago

#97 - Reformulate dependencies

Pull Request - State: closed - Opened by fangohr about 1 year ago - 3 comments

#96 - Failure of pipeline (october 2023)

Issue - State: closed - Opened by fangohr about 1 year ago - 6 comments

#95 - Simplify and shorten syntax for compiler flag generation

Pull Request - State: closed - Opened by lang-m about 1 year ago - 3 comments

#94 - Use of `nfft`, `pfft` and `pnfft`

Issue - State: open - Opened by lang-m about 1 year ago - 1 comment

#93 - Compiler optimisation level

Issue - State: open - Opened by lang-m about 1 year ago - 1 comment

#92 - Patch elpa

Pull Request - State: open - Opened by iamashwin99 about 1 year ago - 1 comment

#91 - fix scalapack dependency

Pull Request - State: closed - Opened by iamashwin99 about 1 year ago - 1 comment

#90 - Disable gdlib

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 7 comments

#89 - Add flavours as variants

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago

#88 - update to Octopus 13.0

Pull Request - State: closed - Opened by fangohr over 1 year ago - 2 comments

#87 - Update to sync with upstream.

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago

#86 - Patch elpa

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 1 comment

#85 - Try to add style ci

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 3 comments

#84 - Fix scalapack: choose [email protected] as the provider

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 2 comments

#83 - scalapack: incorrect package name in octopus spack package.

Issue - State: closed - Opened by iamashwin99 over 1 year ago

#82 - Fix elpa variant

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 2 comments

#81 - Fix libxc5 version for latest octopus

Pull Request - State: open - Opened by iamashwin99 over 1 year ago - 2 comments

#80 - Add and test sparskit variant

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 2 comments

#79 - Add and test berkeleygw variant

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 10 comments

#78 - Fix versions of dependencies within the spack package

Issue - State: closed - Opened by iamashwin99 over 1 year ago - 5 comments

#77 - Add and test pnfft variant

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 1 comment

#76 - Add etsf-io variant and its checks

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 1 comment

#75 - Specify versions of all the dependncies used in the CI

Issue - State: closed - Opened by iamashwin99 over 1 year ago - 1 comment

#74 - Add nfft

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 6 comments

#73 - Add boost prefix when compiling with cgal

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 5 comments

#72 - Remove stable spack from ci

Pull Request - State: closed - Opened by fangohr over 1 year ago

#71 - update with latest version from spack upstream

Pull Request - State: closed - Opened by fangohr over 1 year ago - 1 comment

#70 - Remove redundant flags, add debug flags and no-var-tracking

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago

#69 - Debug flags are being set even when not on debug varinat

Issue - State: closed - Opened by iamashwin99 over 1 year ago - 3 comments

#68 - Remove redundant FFLAGS

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 2 comments

#67 - Add missing packages

Issue - State: closed - Opened by iamashwin99 over 1 year ago - 3 comments

#66 - Elpa is not being pickedup

Issue - State: open - Opened by iamashwin99 over 1 year ago - 1 comment

#65 - Unused fflags are set

Issue - State: closed - Opened by iamashwin99 over 1 year ago

#64 - CXX and CFLAGS are not set

Issue - State: closed - Opened by iamashwin99 over 1 year ago

#63 - Add configure args for boost when cgal is enabled

Issue - State: closed - Opened by iamashwin99 over 1 year ago

#62 - Add no var tracking assignments for debug builds

Pull Request - State: closed - Opened by iamashwin99 over 1 year ago - 2 comments

#61 - Speedup compilation for debug variants

Issue - State: closed - Opened by iamashwin99 almost 2 years ago - 1 comment

#60 - Update repo details to octopus12.2

Pull Request - State: closed - Opened by iamashwin99 almost 2 years ago - 2 comments

#59 - rename "develop" to "main" branch on Octopus git repository

Pull Request - State: closed - Opened by fangohr about 2 years ago - 2 comments

#58 - Update upstream changes

Pull Request - State: closed - Opened by iamashwin99 about 2 years ago - 2 comments

#57 - The package should contain the cxx standards

Issue - State: open - Opened by LecrisUT about 2 years ago - 1 comment

#56 - Run make check and make check-short targests (Dev-build)

Pull Request - State: open - Opened by iamashwin99 about 2 years ago - 7 comments

#55 - Add new dependencies and variants

Pull Request - State: closed - Opened by iamashwin99 about 2 years ago - 3 comments

#54 - Split off all content relating to Docker

Pull Request - State: closed - Opened by fangohr about 2 years ago

#53 - Mpi serial variants

Pull Request - State: closed - Opened by iamashwin99 about 2 years ago

#52 - Separate serial and MPI dependencies

Pull Request - State: closed - Opened by iamashwin99 about 2 years ago - 10 comments

#51 - AutotoolsPackage implementation with no autoreconf method

Pull Request - State: closed - Opened by iamashwin99 about 2 years ago - 1 comment

#50 - Add CI for the octopus@develop version.

Pull Request - State: closed - Opened by iamashwin99 about 2 years ago - 3 comments

#49 - [Do not merge] AutotoolsPackage refactor

Pull Request - State: closed - Opened by iamashwin99 about 2 years ago

#48 - OSX: Adding more dependencies

Pull Request - State: closed - Opened by fangohr about 2 years ago - 1 comment

#47 - Make compile of octopus work on OSX

Issue - State: closed - Opened by fangohr about 2 years ago

#46 - OSX: gitlab actions move from OS11 to OS12

Issue - State: closed - Opened by fangohr about 2 years ago

#45 - Github seems to change to OS12; need to re-act.

Pull Request - State: closed - Opened by fangohr about 2 years ago

#44 - set OMP_NUM_THREADS to 1 in -develop Dockerfile as well

Pull Request - State: closed - Opened by fangohr about 2 years ago

#43 - Set OMP_NUM_THREADS to 1

Pull Request - State: closed - Opened by fangohr about 2 years ago

#42 - Create dedicated repository for Docker container

Issue - State: closed - Opened by fangohr about 2 years ago - 1 comment

#41 - Add additional libraries from heiko

Pull Request - State: closed - Opened by fangohr about 2 years ago

#40 - Towards support of m1 macs

Pull Request - State: closed - Opened by fangohr about 2 years ago

#39 - Container enable mpi and openmp

Pull Request - State: closed - Opened by fangohr about 2 years ago

#38 - Include additional libraries

Issue - State: closed - Opened by fangohr about 2 years ago - 1 comment

#37 - Offer MPI-enabled parallel version of docker container

Issue - State: closed - Opened by fangohr about 2 years ago - 1 comment

#36 - Make Docker container work for M1 Mac (ARM64)

Issue - State: closed - Opened by fangohr about 2 years ago - 1 comment

#35 - run make check and make short-check in containers for Octopus 12.1

Pull Request - State: closed - Opened by fangohr about 2 years ago

#34 - Upgrade to octopus 12.1

Pull Request - State: closed - Opened by fangohr about 2 years ago

#33 - Refactor do not check older versions

Pull Request - State: closed - Opened by fangohr about 2 years ago

#32 - Upgrade to octopus 12 debian based dockerfile and dockerhub

Pull Request - State: closed - Opened by fangohr about 2 years ago - 1 comment

#31 - Upgrade to octopus 12 spack package

Pull Request - State: closed - Opened by fangohr about 2 years ago - 1 comment

#30 - Align with octopus package in spack 2022 09 21

Pull Request - State: closed - Opened by fangohr about 2 years ago - 1 comment

#29 - feat: add spack-latest with weakly builds

Pull Request - State: closed - Opened by iamashwin99 over 2 years ago - 1 comment

#28 - Add ci for spack-release/latest with docker file upload

Pull Request - State: closed - Opened by iamashwin99 over 2 years ago

#27 - Add ci for spack-release/latest with docker file upload

Pull Request - State: closed - Opened by iamashwin99 over 2 years ago

#26 - move to spack v0.18.0, dropping 0.17.0

Pull Request - State: closed - Opened by fangohr over 2 years ago

#25 - add target for octopus:11.4

Pull Request - State: closed - Opened by fangohr over 2 years ago

#24 - Building with poke

Pull Request - State: closed - Opened by fangohr over 2 years ago - 1 comment

#23 - as prepared for spack merge request

Pull Request - State: closed - Opened by fangohr over 2 years ago - 1 comment

#22 - de-activate Python support by default

Pull Request - State: closed - Opened by fangohr over 2 years ago

#21 - Octopus 11.4

Pull Request - State: closed - Opened by fangohr over 2 years ago

#20 - Add buttons for manual dispatch of workflow

Pull Request - State: closed - Opened by fangohr over 2 years ago

#19 - integrate OSX testing into main branch

Pull Request - State: closed - Opened by fangohr over 2 years ago

#18 - Adding smoke tests

Pull Request - State: closed - Opened by fangohr over 2 years ago

#17 - attempt to include spack develop into main

Pull Request - State: closed - Opened by fangohr over 2 years ago

#16 - Update 2022 04

Pull Request - State: closed - Opened by fangohr over 2 years ago

#15 - Spack 0.17.2 is released

Pull Request - State: closed - Opened by fangohr over 2 years ago

#14 - add Octopus version 11.3

Pull Request - State: closed - Opened by fangohr almost 3 years ago