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author | RĂ©mi Lacroix <remi.lacroix@idris.fr> | 2022-12-27 21:33:48 +0100 |
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committer | Todd Gamblin <tgamblin@llnl.gov> | 2022-12-27 13:06:08 -0800 |
commit | b43a27674b0380f0250805d95dff610b7656dd6f (patch) | |
tree | 484b8941080a05c43c38b3b7c98a5e69e6fe1733 /var | |
parent | 3d961b9a1f129b1d1be98b4e50d6dafd7888097a (diff) | |
download | spack-b43a27674b0380f0250805d95dff610b7656dd6f.tar.gz spack-b43a27674b0380f0250805d95dff610b7656dd6f.tar.bz2 spack-b43a27674b0380f0250805d95dff610b7656dd6f.tar.xz spack-b43a27674b0380f0250805d95dff610b7656dd6f.zip |
CPMD: Update for open-source release
CPMD has been open-sourced on GitHub so manual download is no longer needed. The patches have been included in the new 4.3 release.
Diffstat (limited to 'var')
-rw-r--r-- | var/spack/repos/builtin/packages/cpmd/package.py | 41 |
1 files changed, 3 insertions, 38 deletions
diff --git a/var/spack/repos/builtin/packages/cpmd/package.py b/var/spack/repos/builtin/packages/cpmd/package.py index 18d7cad4ed..8dff02bfc4 100644 --- a/var/spack/repos/builtin/packages/cpmd/package.py +++ b/var/spack/repos/builtin/packages/cpmd/package.py @@ -11,16 +11,12 @@ from spack.package import * class Cpmd(MakefilePackage): """The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly - designed for ab-initio molecular dynamics. - Move to new directory, download CPMD main archive and patch.to.XXXXs - manually, and run Spack""" + designed for ab-initio molecular dynamics.""" homepage = "https://www.cpmd.org/wordpress/" - basedir = os.getcwd() - url = "file://{0}/cpmd-v4.3.tar.gz".format(basedir) - manual_download = True + url = "https://github.com/CPMD-code/CPMD/archive/refs/tags/4.3.tar.gz" - version("4.3", sha256="4f31ddf045f1ae5d6f25559d85ddbdab4d7a6200362849df833632976d095df4") + version("4.3", sha256="e0290f9da0d255f90a612e60662b14a97ca53003f89073c6af84fa7bc8739f65") variant("omp", description="Enables the use of OMP instructions", default=False) variant("mpi", description="Build with MPI support", default=False) @@ -31,37 +27,6 @@ class Cpmd(MakefilePackage): conflicts("^openblas threads=none", when="+omp") conflicts("^openblas threads=pthreads", when="+omp") - patch( - "file://{0}/patch.to.4612".format(basedir), - sha256="3b7d91e04c40418ad958069234ec7253fbf6c4be361a1d5cfd804774eeb44915", - level=0, - when="@4.3", - ) - patch( - "file://{0}/patch.to.4615".format(basedir), - sha256="5ec5790fb6ca64632bcc1b0f5b8f3423c54455766a0979ff4136624bbe8d49eb", - level=0, - when="@4.3", - ) - patch( - "file://{0}/patch.to.4616".format(basedir), - sha256="ac0bc215c4259f55da4dc59803fe636f797e241f8a01974e05730c9778ad44c4", - level=0, - when="@4.3", - ) - patch( - "file://{0}/patch.to.4621".format(basedir), - sha256="2d2bc7e37246032fc354f51da7dbdb5a219dd228867399931b0e94da1265d5ca", - level=0, - when="@4.3", - ) - patch( - "file://{0}/patch.to.4624".format(basedir), - sha256="0a19687528264bf91c9f50ffdc0b920a8511eecf5259b667c8c29350f9dabc53", - level=0, - when="@4.3", - ) - def edit(self, spec, prefix): # patch configure file cbase = "LINUX-GFORTRAN" |